1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene

C20H25F3 — CID 70797583

IUPAC1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2ccc(C3CCC(=C(F)F)CC3)c(F)c2)CC1
InChIInChI=1S/C20H25F3/c1-13-2-4-14(5-3-13)17-10-11-18(19(21)12-17)15-6-8-16(9-7-15)20(22)23/h10-15H,2-9H2,1H3
InChIKeyLFAFSHOBHDIDGF-UHFFFAOYSA-N
MW322.41 g/mol
LogP6.93
Rot. Bonds2

About 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene

1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene (PubChem CID 70797583) has the molecular formula C20H25F3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene.

Molecular Properties

Compound Name1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene
PubChem CID70797583
Molecular FormulaC20H25F3
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene
SMILESCC1CCC(c2ccc(C3CCC(=C(F)F)CC3)c(F)c2)CC1
InChIInChI=1S/C20H25F3/c1-13-2-4-14(5-3-13)17-10-11-18(19(21)12-17)15-6-8-16(9-7-15)20(22)23/h10-15H,2-9H2,1H3
InChIKeyLFAFSHOBHDIDGF-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(4-propylcyclohexyl)benzene
CID 122642799
7,8-difluoro-2-[2-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139848801
2-fluoro-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;methane;molecular hydrogen
CID 158317433
4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-1,2,2,6,6-pentamethylpiperidine
CID 134486646
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-fluoro-1-[4-(10-fluorodecyl)cyclohexyl]-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene
CID 21265179
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
5-[4-[4-(1,2-difluoroprop-1-enyl)-2-fluorophenyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 123217411
2-fluoro-4-(4-methylcyclohexyl)-1-(trifluoromethoxy)benzene
CID 20591351
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052
2-fluoro-1-isothiocyanato-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 142237279

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene?
The IUPAC name of 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene (CID 70797583) is 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene.
What is the SMILES notation for 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene?
The canonical SMILES for 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene is CC1CCC(c2ccc(C3CCC(=C(F)F)CC3)c(F)c2)CC1.
What is the InChIKey of 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene?
The InChIKey is LFAFSHOBHDIDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3/c1-13-2-4-14(5-3-13)17-10-11-18(19(21)12-17)15-6-8-16(9-7-15)20(22)23/h10-15H,2-9H2,1H3.
What are the key properties of 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene?
1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene has a molecular weight of 322.41 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylidene)cyclohexyl]-2-fluoro-4-(4-methylcyclohexyl)benzene is sourced from PubChem (CID 70797583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).