1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene

C27H27F3 — CID 143772392

IUPAC1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C27H27F3/c1-3-18-12-15-24(27(30)26(18)29)21-10-8-19(9-11-21)22-13-14-23(25(28)16-22)20-6-4-17(2)5-7-20/h8-17,20H,3-7H2,1-2H3
InChIKeyFMLZNVPZZICFDX-UHFFFAOYSA-N
MW408.51 g/mol
LogP8.29
Rot. Bonds4

About 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene

1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene (PubChem CID 143772392) has the molecular formula C27H27F3 and a molecular weight of 408.51 g/mol. Its IUPAC name is 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
PubChem CID143772392
Molecular FormulaC27H27F3
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene
SMILESCCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)c(F)c1F
InChIInChI=1S/C27H27F3/c1-3-18-12-15-24(27(30)26(18)29)21-10-8-19(9-11-21)22-13-14-23(25(28)16-22)20-6-4-17(2)5-7-20/h8-17,20H,3-7H2,1-2H3
InChIKeyFMLZNVPZZICFDX-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.51
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-4-prop-2-enylbenzene
CID 67730556
5-[4-[4-(4-ethyl-2,3-difluorophenyl)phenyl]-2-fluorophenyl]-2-methyl-1,3-dioxane
CID 143773043
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]phenyl]phenyl]benzene
CID 67737924
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-(4-methylcyclohexyl)benzene
CID 129065279
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-methoxybenzene
CID 70820671
2-[2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]phenyl]phenyl]oxirane
CID 88998214
1-butyl-4-[4-[2,3-difluoro-4-(4-methylcyclohexyl)phenyl]phenyl]-2,3-difluorobenzene
CID 70820686
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-propoxybenzene
CID 59874030
5-[4-(2,3-difluoro-4-propylphenyl)-2-fluorophenyl]-2-methyloxane
CID 126764591
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 70820677

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene?
The IUPAC name of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene (CID 143772392) is 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene is CCc1ccc(-c2ccc(-c3ccc(C4CCC(C)CC4)c(F)c3)cc2)c(F)c1F.
What is the InChIKey of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene?
The InChIKey is FMLZNVPZZICFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3/c1-3-18-12-15-24(27(30)26(18)29)21-10-8-19(9-11-21)22-13-14-23(25(28)16-22)20-6-4-17(2)5-7-20/h8-17,20H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene?
1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene has a molecular weight of 408.51 g/mol, XLogP of 8.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-difluoro-4-[4-[3-fluoro-4-(4-methylcyclohexyl)phenyl]phenyl]benzene is sourced from PubChem (CID 143772392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).