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

C185H243Cl4F22N5O10S2 — CID 157156980

IUPAC4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCC(C)c1cc(Cl)ccc1C(F)(F)F.CC(C)c1cc(Cl)ccc1C(F)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OCCN1CCOCC1.CC(C)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H24F3NO.C17H25F2NO.C16H25NO.C15H23NO2.C13H19NO.C10H10ClF3.2C10H11ClF2.2C10H11F3.C10H12F2.2C10H14O2S.C9H11Cl.2C9H11F/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-13(2)16-12-14(6-7-15(16)17(18)19)21-11-10-20-8-4-3-5-9-20;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)8-5-3-4-6-9(8)10(11)12;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;2*1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h6-7,12-13H,3-5,8-11H2,1-2H3;6-7,12-13,17H,3-5,8-11H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6H,1-2H3;4*3-6,10H,1-2H3;3-7,10H,1-2H3;2*4-8H,1-3H3;3*3-7H,1-2H3
InChIKeyALXRVTXBPXFCHJ-UHFFFAOYSA-N
MW3320.91 g/mol
LogP56.74
Rot. Bonds41

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

4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine (PubChem CID 157156980) has the molecular formula C185H243Cl4F22N5O10S2 and a molecular weight of 3320.91 g/mol. Its IUPAC name is 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine.

Molecular Properties

Compound Name4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
PubChem CID157156980
Molecular FormulaC185H243Cl4F22N5O10S2
Molecular Weight3320.91 g/mol
Exact Mass3316.65
IUPAC Name4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine
SMILESCC(C)c1cc(Cl)ccc1C(F)(F)F.CC(C)c1cc(Cl)ccc1C(F)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OCCN1CCOCC1.CC(C)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C17H24F3NO.C17H25F2NO.C16H25NO.C15H23NO2.C13H19NO.C10H10ClF3.2C10H11ClF2.2C10H11F3.C10H12F2.2C10H14O2S.C9H11Cl.2C9H11F/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-13(2)16-12-14(6-7-15(16)17(18)19)21-11-10-20-8-4-3-5-9-20;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)8-5-3-4-6-9(8)10(11)12;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;2*1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h6-7,12-13H,3-5,8-11H2,1-2H3;6-7,12-13,17H,3-5,8-11H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6H,1-2H3;4*3-6,10H,1-2H3;3-7,10H,1-2H3;2*4-8H,1-3H3;3*3-7H,1-2H3
InChIKeyALXRVTXBPXFCHJ-UHFFFAOYSA-N
XLogP56.74
TPSA139.86 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds41
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003320.91
LogP ≤ 556.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The IUPAC name of 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine (CID 157156980) is 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine.
What is the SMILES notation for 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The canonical SMILES for 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine is CC(C)c1cc(Cl)ccc1C(F)(F)F.CC(C)c1cc(Cl)ccc1C(F)F.CC(C)c1cc(F)ccc1C(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)(F)F.CC(C)c1cc(OCCN2CCCCC2)ccc1C(F)F.CC(C)c1ccc(Cl)cc1C(F)F.CC(C)c1ccc(F)cc1C(F)F.CC(C)c1cccc(Cl)c1.CC(C)c1cccc(F)c1.CC(C)c1cccc(N2CCOCC2)c1.CC(C)c1cccc(OCCN2CCCCC2)c1.CC(C)c1cccc(S(C)(=O)=O)c1.CC(C)c1ccccc1C(F)F.CC(C)c1ccccc1F.CC(C)c1ccccc1OCCN1CCOCC1.CC(C)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
The InChIKey is ALXRVTXBPXFCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO.C17H25F2NO.C16H25NO.C15H23NO2.C13H19NO.C10H10ClF3.2C10H11ClF2.2C10H11F3.C10H12F2.2C10H14O2S.C9H11Cl.2C9H11F/c1-13(2)15-12-14(6-7-16(15)17(18,19)20)22-11-10-21-8-4-3-5-9-21;1-13(2)16-12-14(6-7-15(16)17(18)19)21-11-10-20-8-4-3-5-9-20;1-14(2)15-7-6-8-16(13-15)18-12-11-17-9-4-3-5-10-17;1-13(2)14-5-3-4-6-15(14)18-12-9-16-7-10-17-11-8-16;1-11(2)12-4-3-5-13(10-12)14-6-8-15-9-7-14;1-6(2)8-5-7(11)3-4-9(8)10(12,13)14;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-6(2)9-5-7(11)3-4-8(9)10(12)13;1-6(2)8-4-3-7(11)5-9(8)10(12)13;1-7(2)8-5-3-4-6-9(8)10(11)12;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;2*1-7(2)8-4-3-5-9(10)6-8;1-7(2)8-5-3-4-6-9(8)10/h6-7,12-13H,3-5,8-11H2,1-2H3;6-7,12-13,17H,3-5,8-11H2,1-2H3;6-8,13-14H,3-5,9-12H2,1-2H3;3-6,13H,7-12H2,1-2H3;3-5,10-11H,6-9H2,1-2H3;3-6H,1-2H3;4*3-6,10H,1-2H3;3-7,10H,1-2H3;2*4-8H,1-3H3;3*3-7H,1-2H3.
What are the key properties of 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine?
4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine has a molecular weight of 3320.91 g/mol, XLogP of 56.74, 41 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(difluoromethyl)-2-propan-2-ylbenzene;4-chloro-2-(difluoromethyl)-1-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;1-(difluoromethyl)-4-fluoro-2-propan-2-ylbenzene;2-(difluoromethyl)-4-fluoro-1-propan-2-ylbenzene;1-(difluoromethyl)-2-propan-2-ylbenzene;1-[2-[4-(difluoromethyl)-3-propan-2-ylphenoxy]ethyl]piperidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-3-propan-2-ylbenzene;1-methylsulfonyl-2-propan-2-ylbenzene;1-methylsulfonyl-3-propan-2-ylbenzene;4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine;4-(3-propan-2-ylphenyl)morpholine;1-[2-[3-propan-2-yl-4-(trifluoromethyl)phenoxy]ethyl]piperidine is sourced from PubChem (CID 157156980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).