1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene

C31H43F — CID 21265275

IUPAC1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
SMILESCCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(CF)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H43F/c1-2-3-4-24-7-15-28(16-8-24)29-17-9-25(10-18-29)5-6-26-11-19-30(20-12-26)31-21-13-27(23-32)14-22-31/h11-14,19-22,24-25,28-29H,2-10,15-18,23H2,1H3
InChIKeyGJGHQUMGNJZEBL-UHFFFAOYSA-N
MW434.68 g/mol
LogP9.56
Rot. Bonds9

About 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene

1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene (PubChem CID 21265275) has the molecular formula C31H43F and a molecular weight of 434.68 g/mol. Its IUPAC name is 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
PubChem CID21265275
Molecular FormulaC31H43F
Molecular Weight434.68 g/mol
Exact Mass434.33
IUPAC Name1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene
SMILESCCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(CF)cc4)cc3)CC2)CC1
InChIInChI=1S/C31H43F/c1-2-3-4-24-7-15-28(16-8-24)29-17-9-25(10-18-29)5-6-26-11-19-30(20-12-26)31-21-13-27(23-32)14-22-31/h11-14,19-22,24-25,28-29H,2-10,15-18,23H2,1H3
InChIKeyGJGHQUMGNJZEBL-UHFFFAOYSA-N
XLogP9.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.68
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-[4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]phenyl]-1,3-difluoro-2-(fluoromethyl)benzene
CID 70820995
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-1,2-difluorobenzene
CID 14993441
4-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 14439252
1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-chloro-4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54560708
4-[2-(4-butylcyclohexyl)ethyl]benzenethiol
CID 173376094
4-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 22437537
2-(4-butylcyclohexyl)ethylbenzene
CID 19899703
1-[4-(4-pentylcyclohexyl)butyl]-4-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 18965925
1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 21265277
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
CID 59931239
3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
CID 21265168

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene?
The IUPAC name of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene (CID 21265275) is 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene?
The canonical SMILES for 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene is CCCCC1CCC(C2CCC(CCc3ccc(-c4ccc(CF)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene?
The InChIKey is GJGHQUMGNJZEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43F/c1-2-3-4-24-7-15-28(16-8-24)29-17-9-25(10-18-29)5-6-26-11-19-30(20-12-26)31-21-13-27(23-32)14-22-31/h11-14,19-22,24-25,28-29H,2-10,15-18,23H2,1H3.
What are the key properties of 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene?
1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene has a molecular weight of 434.68 g/mol, XLogP of 9.56, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-4-[4-(fluoromethyl)phenyl]benzene is sourced from PubChem (CID 21265275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).