4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine

C190H243Cl5F22N2O6S2 — CID 158780126

IUPAC4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine
SMILESCC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(C)F.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1C(F)(F)F.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C16H25NO.C13H19NO.C11H14ClF.C11H14F2.C11H15F.C10H10ClF3.C10H11ClF2.C10H13Cl.2C10H10F4.C10H11F3.C10H13F.2C10H14O2S.2C10H14.C9H11Cl.C9H11F/c1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;1-7(2)11-6-9(13)4-5-10(11)8(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-4-3-5-8(11)9(7)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2*4-8H,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3
InChIKeyIQYSPHVZFUZIKZ-UHFFFAOYSA-N
MW3310.40 g/mol
LogP63.45
Rot. Bonds30

About 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine

4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine (PubChem CID 158780126) has the molecular formula C190H243Cl5F22N2O6S2 and a molecular weight of 3310.40 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine
PubChem CID158780126
Molecular FormulaC190H243Cl5F22N2O6S2
Molecular Weight3310.40 g/mol
Exact Mass3305.63
IUPAC Name4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine
SMILESCC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(C)F.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1C(F)(F)F.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C
InChIInChI=1S/C16H25NO.C13H19NO.C11H14ClF.C11H14F2.C11H15F.C10H10ClF3.C10H11ClF2.C10H13Cl.2C10H10F4.C10H11F3.C10H13F.2C10H14O2S.2C10H14.C9H11Cl.C9H11F/c1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;1-7(2)11-6-9(13)4-5-10(11)8(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-4-3-5-8(11)9(7)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2*4-8H,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3
InChIKeyIQYSPHVZFUZIKZ-UHFFFAOYSA-N
XLogP63.45
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms227
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003310.40
LogP ≤ 563.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine?
The IUPAC name of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine (CID 158780126) is 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine is CC(C)c1cc(Cl)ccc1C(C)F.CC(C)c1cc(F)ccc1C(C)F.CC(C)c1ccc(Cl)cc1C(F)(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1C(F)(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1C(F)(F)F.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(C)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OCCN1CCCCC1.CC(C)c1ccccc1S(C)(=O)=O.Cc1ccc(Cl)cc1C(C)C.Cc1ccc(F)cc1C(C)C.Cc1cccc(C(C)C)c1.Cc1ccccc1C(C)C.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine?
The InChIKey is IQYSPHVZFUZIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO.C13H19NO.C11H14ClF.C11H14F2.C11H15F.C10H10ClF3.C10H11ClF2.C10H13Cl.2C10H10F4.C10H11F3.C10H13F.2C10H14O2S.2C10H14.C9H11Cl.C9H11F/c1-14(2)15-8-4-5-9-16(15)18-13-12-17-10-6-3-7-11-17;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-7(2)11-6-9(12)4-5-10(11)8(3)13;1-7(2)11-6-9(13)4-5-10(11)8(3)12;1-8(2)10-6-4-5-7-11(10)9(3)12;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-6(2)8-4-3-7(11)5-9(8)10(12,13)14;1-6(2)7-4-3-5-8(11)9(7)10(12,13)14;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)10-6-9(11)5-4-8(10)3;1-8(2)9-5-4-6-10(7-9)13(3,11)12;1-8(2)9-6-4-5-7-10(9)13(3,11)12;1-8(2)10-6-4-5-9(3)7-10;1-8(2)10-7-5-4-6-9(10)3;1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;2*4-8H,1-3H3;4-9H,1-3H3;3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*3-6H,1-2H3;3-6,10H,1-2H3;4-7H,1-3H3;2*4-8H,1-3H3;2*4-8H,1-3H3;2*3-7H,1-2H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine?
4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine has a molecular weight of 3310.40 g/mol, XLogP of 63.45, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;4-chloro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-chloro-1-methyl-2-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-1-propan-2-yl-2-(trifluoromethyl)benzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-(1-fluoroethyl)-2-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-yl-2-(trifluoromethyl)benzene;4-fluoro-1-propan-2-yl-2-(trifluoromethyl)benzene;1-methyl-2-propan-2-ylbenzene;1-methyl-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;1-[2-(2-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 158780126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).