2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene

C27H32F4 — CID 163495624

IUPAC2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene
SMILESCC(C)C1CCC(C2CCC(c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C27H32F4/c1-16(2)17-3-5-18(6-4-17)19-7-9-20(10-8-19)22-14-25(30)27(26(31)15-22)21-11-12-23(28)24(29)13-21/h11-20H,3-10H2,1-2H3
InChIKeyCQKMOOPOGAEBAE-UHFFFAOYSA-N
MW432.55 g/mol
LogP8.65
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene

2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene (PubChem CID 163495624) has the molecular formula C27H32F4 and a molecular weight of 432.55 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene
PubChem CID163495624
Molecular FormulaC27H32F4
Molecular Weight432.55 g/mol
Exact Mass432.24
IUPAC Name2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene
SMILESCC(C)C1CCC(C2CCC(c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C27H32F4/c1-16(2)17-3-5-18(6-4-17)19-7-9-20(10-8-19)22-14-25(30)27(26(31)15-22)21-11-12-23(28)24(29)13-21/h11-20H,3-10H2,1-2H3
InChIKeyCQKMOOPOGAEBAE-UHFFFAOYSA-N
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene;molecular hydrogen
CID 158855287
4-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]cyclohexane-1-thiol
CID 130256822
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-[(2S)-2-phenylpropyl]cyclohexyl]benzene
CID 58698614
2-(3,4-difluorophenyl)-5-(4-ethenylcyclohexyl)-1,3-difluorobenzene
CID 15376160
2-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385286
1,2-difluoro-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 22886833
2-butyl-6-[4-(3,4-difluorophenyl)-3,5-difluorophenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383401
1,2-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)phenyl]benzene
CID 144841355
4-[4-(4-cyclohexylcyclohexyl)phenyl]-1,2-difluorobenzene
CID 134241732
2-(3,5-difluorobenzene-4-id-1-yl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;yttrium
CID 59931299
1,2-difluoro-4-[4-[4-(5-methylhexan-2-yl)cyclohexyl]phenyl]benzene
CID 145223046
4-[4-(4-tert-butylcyclohexyl)cyclohexyl]-1,2-difluorobenzene
CID 154010858

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene (CID 163495624) is 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene is CC(C)C1CCC(C2CCC(c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)CC2)CC1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene?
The InChIKey is CQKMOOPOGAEBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F4/c1-16(2)17-3-5-18(6-4-17)19-7-9-20(10-8-19)22-14-25(30)27(26(31)15-22)21-11-12-23(28)24(29)13-21/h11-20H,3-10H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene?
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene has a molecular weight of 432.55 g/mol, XLogP of 8.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(4-propan-2-ylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 163495624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).