2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene

C28H36F2 — CID 21265203

IUPAC2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C3CCC(CCC4CCC(CF)CC4)CC3)c(F)c2)cc1
InChIInChI=1S/C28H36F2/c1-20-2-12-24(13-3-20)26-16-17-27(28(30)18-26)25-14-10-22(11-15-25)5-4-21-6-8-23(19-29)9-7-21/h2-3,12-13,16-18,21-23,25H,4-11,14-15,19H2,1H3
InChIKeyAIHQDOHMLHWZSE-UHFFFAOYSA-N
MW410.59 g/mol
LogP8.63
Rot. Bonds6

About 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene

2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene (PubChem CID 21265203) has the molecular formula C28H36F2 and a molecular weight of 410.59 g/mol. Its IUPAC name is 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene
PubChem CID21265203
Molecular FormulaC28H36F2
Molecular Weight410.59 g/mol
Exact Mass410.28
IUPAC Name2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene
SMILESCc1ccc(-c2ccc(C3CCC(CCC4CCC(CF)CC4)CC3)c(F)c2)cc1
InChIInChI=1S/C28H36F2/c1-20-2-12-24(13-3-20)26-16-17-27(28(30)18-26)25-14-10-22(11-15-25)5-4-21-6-8-23(19-29)9-7-21/h2-3,12-13,16-18,21-23,25H,4-11,14-15,19H2,1H3
InChIKeyAIHQDOHMLHWZSE-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.59
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene with MolForge

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Related Compounds

2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1,2,3-trifluoro-5-[4-[4-(fluoromethyl)cyclohexyl]phenyl]benzene
CID 59938749
4-(4-but-3-enylphenyl)-1-(4-ethylcyclohexyl)-2-fluorobenzene
CID 139749384
2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene
CID 129171181
2-fluoro-4-methyl-1-(4-methylcyclohexyl)benzene
CID 126578544
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
4-[4-(5,6-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)phenyl]-2-fluoro-1-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 143772456
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene?
The IUPAC name of 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene (CID 21265203) is 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene.
What is the SMILES notation for 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene?
The canonical SMILES for 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene is Cc1ccc(-c2ccc(C3CCC(CCC4CCC(CF)CC4)CC3)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene?
The InChIKey is AIHQDOHMLHWZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36F2/c1-20-2-12-24(13-3-20)26-16-17-27(28(30)18-26)25-14-10-22(11-15-25)5-4-21-6-8-23(19-29)9-7-21/h2-3,12-13,16-18,21-23,25H,4-11,14-15,19H2,1H3.
What are the key properties of 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene?
2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene has a molecular weight of 410.59 g/mol, XLogP of 8.63, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-[2-[4-(fluoromethyl)cyclohexyl]ethyl]cyclohexyl]-4-(4-methylphenyl)benzene is sourced from PubChem (CID 21265203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).