2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene

C32H43F — CID 67943668

IUPAC2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C3CCC(/C=C/C4CCC(CCC)CC4)CC3)cc2)c(F)c1
InChIInChI=1S/C32H43F/c1-3-5-24-7-9-25(10-8-24)11-12-26-13-16-28(17-14-26)29-18-20-30(21-19-29)31-22-15-27(6-4-2)23-32(31)33/h11-12,15,18-26,28H,3-10,13-14,16-17H2,1-2H3/b12-11+
InChIKeyGTIAKZMPXXYRJP-VAWYXSNFSA-N
MW446.69 g/mol
LogP9.88
Rot. Bonds8

About 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene

2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene (PubChem CID 67943668) has the molecular formula C32H43F and a molecular weight of 446.69 g/mol. Its IUPAC name is 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
PubChem CID67943668
Molecular FormulaC32H43F
Molecular Weight446.69 g/mol
Exact Mass446.33
IUPAC Name2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene
SMILESCCCc1ccc(-c2ccc(C3CCC(/C=C/C4CCC(CCC)CC4)CC3)cc2)c(F)c1
InChIInChI=1S/C32H43F/c1-3-5-24-7-9-25(10-8-24)11-12-26-13-16-28(17-14-26)29-18-20-30(21-19-29)31-22-15-27(6-4-2)23-32(31)33/h11-12,15,18-26,28H,3-10,13-14,16-17H2,1-2H3/b12-11+
InChIKeyGTIAKZMPXXYRJP-VAWYXSNFSA-N
XLogP9.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.69
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-pent-3-enyl-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 67701116
2-fluoro-4-[4-[4-(methoxymethyl)cyclohexyl]butyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 54397674
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2-(2-fluoro-4-propylphenyl)-5-(4-propylcyclohexyl)pyridine
CID 19101251
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
CID 158616323
2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
1-[4-[4-(2-fluoro-4-propylphenyl)phenyl]cyclohexyl]pyrrole-2,5-dione
CID 138624320
1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-(4-ethylphenyl)-2-fluoro-4-(4-propylphenyl)benzene
CID 144658300
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-methylbenzene
CID 67729692
2-fluoro-4-[4-(3-methoxypropyl)cyclohexyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 23297299

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene?
The IUPAC name of 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene (CID 67943668) is 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene.
What is the SMILES notation for 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene?
The canonical SMILES for 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene is CCCc1ccc(-c2ccc(C3CCC(/C=C/C4CCC(CCC)CC4)CC3)cc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene?
The InChIKey is GTIAKZMPXXYRJP-VAWYXSNFSA-N. The full InChI is InChI=1S/C32H43F/c1-3-5-24-7-9-25(10-8-24)11-12-26-13-16-28(17-14-26)29-18-20-30(21-19-29)31-22-15-27(6-4-2)23-32(31)33/h11-12,15,18-26,28H,3-10,13-14,16-17H2,1-2H3/b12-11+.
What are the key properties of 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene?
2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene has a molecular weight of 446.69 g/mol, XLogP of 9.88, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-propyl-1-[4-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]benzene is sourced from PubChem (CID 67943668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).