1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene

C30H35F — CID 139711196

IUPAC1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
SMILESCCCC1CCCCC1C(CCF)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H35F/c1-2-8-27-11-6-7-12-29(27)30(21-22-31)28-19-17-26(18-20-28)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,9-10,13-20,27,29-30H,2,6-8,11-12,21-22H2,1H3
InChIKeyUJHLUKZHNFQJTN-UHFFFAOYSA-N
MW414.61 g/mol
LogP9.07
Rot. Bonds8

About 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene

1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene (PubChem CID 139711196) has the molecular formula C30H35F and a molecular weight of 414.61 g/mol. Its IUPAC name is 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene.

Molecular Properties

Compound Name1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
PubChem CID139711196
Molecular FormulaC30H35F
Molecular Weight414.61 g/mol
Exact Mass414.27
IUPAC Name1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene
SMILESCCCC1CCCCC1C(CCF)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C30H35F/c1-2-8-27-11-6-7-12-29(27)30(21-22-31)28-19-17-26(18-20-28)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,9-10,13-20,27,29-30H,2,6-8,11-12,21-22H2,1H3
InChIKeyUJHLUKZHNFQJTN-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-ethylcyclohexyl)-3-fluoropropyl]-4-(4-phenylphenyl)benzene
CID 139711152
5-[1-(2-butylcyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711149
1-phenyl-4-[2-[1-(2-propylcyclohexyl)ethyl]phenyl]benzene
CID 139711027
2-methoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711110
2-ethoxy-4-[1-(2-pentylcyclohexyl)propyl]-1-(4-phenylphenyl)benzene
CID 139711157
1,3-difluoro-5-[1-(2-pentylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711183
1-[1-(2-butylcyclohexyl)propyl]-2-(4-phenylphenyl)benzene
CID 139711116
(2R)-1-chloro-2-[1-(4-phenylphenyl)propyl]piperidine
CID 122605589
5-[1-(2-butyl-2-fluorocyclohexyl)-3-fluoropropyl]-1,3-difluoro-2-(4-phenylphenyl)benzene
CID 139711127
(1R)-3-fluoro-1-(4-phenylphenyl)propan-1-amine;hydrochloride
CID 171208436
cis-(1S,2R)-1,2-dipropylcyclohexane
CID 143217114
1-(4-phenylphenyl)butan-1-amine
CID 43197430

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene?
The IUPAC name of 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene (CID 139711196) is 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene.
What is the SMILES notation for 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene?
The canonical SMILES for 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene is CCCC1CCCCC1C(CCF)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene?
The InChIKey is UJHLUKZHNFQJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35F/c1-2-8-27-11-6-7-12-29(27)30(21-22-31)28-19-17-26(18-20-28)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,9-10,13-20,27,29-30H,2,6-8,11-12,21-22H2,1H3.
What are the key properties of 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene?
1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene has a molecular weight of 414.61 g/mol, XLogP of 9.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-1-(2-propylcyclohexyl)propyl]-4-(4-phenylphenyl)benzene is sourced from PubChem (CID 139711196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).