2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene

C75H97ClF10 — CID 158825905

IUPAC2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)CCc1ccccc1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.Cc1cc(CC(C)C)ccc1F.Cc1cccc(CC(C)C)c1
InChIInChI=1S/2C11H13F3.C11H15F.2C11H16.C10H12ClF.C10H12F2/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8/h3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;2*3-4,6-7H,5H2,1-2H3
InChIKeyIWLKVRYOQRDKEP-UHFFFAOYSA-N
MW1224.03 g/mol
LogP24.45
Rot. Bonds15

About 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene

2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene (PubChem CID 158825905) has the molecular formula C75H97ClF10 and a molecular weight of 1224.03 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
PubChem CID158825905
Molecular FormulaC75H97ClF10
Molecular Weight1224.03 g/mol
Exact Mass1222.71
IUPAC Name2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene
SMILESCC(C)CCc1ccccc1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.Cc1cc(CC(C)C)ccc1F.Cc1cccc(CC(C)C)c1
InChIInChI=1S/2C11H13F3.C11H15F.2C11H16.C10H12ClF.C10H12F2/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8/h3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;2*3-4,6-7H,5H2,1-2H3
InChIKeyIWLKVRYOQRDKEP-UHFFFAOYSA-N
XLogP24.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001224.03
LogP ≤ 524.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene with MolForge

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
1-(3-methylbutyl)-3-(2-methylpropyl)benzene;1-(3-methylbutyl)-4-(2-methylpropyl)benzene
CID 158814859
1-(4-chloro-3-fluorophenyl)-4-(3-methylphenyl)butan-2-amine
CID 107892082
1-chloro-4-(2-methylpropyl)benzene;1,3-difluoro-2-(2-methylpropyl)benzene;1-isocyano-2-(2-methylpropyl)benzene;1-methyl-2-(2-methylpropyl)benzene;1-methyl-3-(2-methylpropyl)benzene;bis(1-methyl-4-(2-methylpropyl)benzene)
CID 158696321
N-[(3-chloro-4-fluorophenyl)methyl]-4-phenylbutan-2-amine
CID 63476474
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
N-[(3,4-difluorophenyl)methyl]-4-(3-methylphenyl)butan-2-amine
CID 63455010
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876
1-[2-(2,3-difluorophenyl)ethyl]-3-[2-(3,4-difluorophenyl)ethyl]-2,6-difluoro-4-(2-phenylethyl)-5-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 141308457
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene (CID 158825905) is 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene is CC(C)CCc1ccccc1.CC(C)Cc1ccc(C(F)(F)F)cc1.CC(C)Cc1ccc(F)c(Cl)c1.CC(C)Cc1ccc(F)c(F)c1.CC(C)Cc1cccc(C(F)(F)F)c1.Cc1cc(CC(C)C)ccc1F.Cc1cccc(CC(C)C)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
The InChIKey is IWLKVRYOQRDKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H13F3.C11H15F.2C11H16.C10H12ClF.C10H12F2/c1-8(2)7-9-3-5-10(6-4-9)11(12,13)14;1-8(2)6-9-4-3-5-10(7-9)11(12,13)14;1-8(2)6-10-4-5-11(12)9(3)7-10;1-9(2)7-11-6-4-5-10(3)8-11;1-10(2)8-9-11-6-4-3-5-7-11;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8/h3-6,8H,7H2,1-2H3;3-5,7-8H,6H2,1-2H3;4-5,7-8H,6H2,1-3H3;4-6,8-9H,7H2,1-3H3;3-7,10H,8-9H2,1-2H3;2*3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene?
2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene has a molecular weight of 1224.03 g/mol, XLogP of 24.45, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-2-methyl-4-(2-methylpropyl)benzene;3-methylbutylbenzene;1-methyl-3-(2-methylpropyl)benzene;1-(2-methylpropyl)-3-(trifluoromethyl)benzene;1-(2-methylpropyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 158825905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).