2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene

C22H22F4 — CID 144909473

IUPAC2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene
SMILESCc1cc(C)c(-c2c(C)cc(C3=CCC(C)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H22F4/c1-11-5-7-15(8-6-11)16-10-13(3)18(22(26)20(16)24)17-12(2)9-14(4)19(23)21(17)25/h7,9-11H,5-6,8H2,1-4H3
InChIKeyLJHMSZMPTZTQKS-UHFFFAOYSA-N
MW362.41 g/mol
LogP7.04
Rot. Bonds2

About 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene

2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene (PubChem CID 144909473) has the molecular formula C22H22F4 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene
PubChem CID144909473
Molecular FormulaC22H22F4
Molecular Weight362.41 g/mol
Exact Mass362.17
IUPAC Name2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene
SMILESCc1cc(C)c(-c2c(C)cc(C3=CCC(C)CC3)c(F)c2F)c(F)c1F
InChIInChI=1S/C22H22F4/c1-11-5-7-15(8-6-11)16-10-13(3)18(22(26)20(16)24)17-12(2)9-14(4)19(23)21(17)25/h7,9-11H,5-6,8H2,1-4H3
InChIKeyLJHMSZMPTZTQKS-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1,5-dimethyl-4-(4-methylcyclohexen-1-yl)benzene;2,3-difluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 167660699
bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohexen-1-yl)naphthalene);bis(1,2,8-trifluoro-3-methyl-7-(4-methylcyclohex-3-en-1-yl)naphthalene);1,2,8-trifluoro-7-methyl-3-(4-methylcyclohexen-1-yl)naphthalene;bis(1,2,8-trifluoro-7-methyl-3-(4-methylcyclohex-3-en-1-yl)naphthalene)
CID 159598759
2-fluoro-3-methyl-6-(4-methylcyclohexen-1-yl)pyridine
CID 129014403
2-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-3,4,5,6-tetrafluoro-7-methyl-9H-fluorene
CID 144909615
1-fluoro-4-methylcyclohexene
CID 23443585
3-chloro-5-(4-methylcyclohexen-1-yl)-1,2-thiazole
CID 150320287
4-iodo-1-(4-methylcyclohexen-1-yl)-2-(4-methylphenyl)benzene
CID 70959801
2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexen-1-yl)cyclohex-3-en-1-yl]phenyl]benzene
CID 170287642
1-[4-[4-(cyclopropylmethyl)cyclohexyl]cyclohexen-1-yl]-2,3-difluoro-4-methylbenzene
CID 159834105
1,4-dimethyl(113C)cyclohexene
CID 11018826
6-[4-(2,3-difluoro-4-methylphenyl)-2,3-difluorophenyl]-3-methyl-3,4-dihydro-2H-pyran
CID 118586668
(2R)-7,8-difluoro-2,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 146513839

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene?
The IUPAC name of 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene (CID 144909473) is 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene.
What is the SMILES notation for 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene?
The canonical SMILES for 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene is Cc1cc(C)c(-c2c(C)cc(C3=CCC(C)CC3)c(F)c2F)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene?
The InChIKey is LJHMSZMPTZTQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4/c1-11-5-7-15(8-6-11)16-10-13(3)18(22(26)20(16)24)17-12(2)9-14(4)19(23)21(17)25/h7,9-11H,5-6,8H2,1-4H3.
What are the key properties of 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene?
2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene has a molecular weight of 362.41 g/mol, XLogP of 7.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4,6-dimethylphenyl)-3,4-difluoro-1-methyl-5-(4-methylcyclohexen-1-yl)benzene is sourced from PubChem (CID 144909473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).