2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene

C32H45F — CID 69196530

IUPAC2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene
SMILESCCCCCC1(C2CCC(CCC)CC2)CCC(c2ccc(-c3ccccc3)c(F)c2)CC1
InChIInChI=1S/C32H45F/c1-3-5-9-21-32(29-16-13-25(10-4-2)14-17-29)22-19-26(20-23-32)28-15-18-30(31(33)24-28)27-11-7-6-8-12-27/h6-8,11-12,15,18,24-26,29H,3-5,9-10,13-14,16-17,19-23H2,1-2H3
InChIKeyKRDFPUFCHHQFGP-UHFFFAOYSA-N
MW448.71 g/mol
LogP10.32
Rot. Bonds9

About 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene

2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene (PubChem CID 69196530) has the molecular formula C32H45F and a molecular weight of 448.71 g/mol. Its IUPAC name is 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene.

Molecular Properties

Compound Name2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene
PubChem CID69196530
Molecular FormulaC32H45F
Molecular Weight448.71 g/mol
Exact Mass448.35
IUPAC Name2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene
SMILESCCCCCC1(C2CCC(CCC)CC2)CCC(c2ccc(-c3ccccc3)c(F)c2)CC1
InChIInChI=1S/C32H45F/c1-3-5-9-21-32(29-16-13-25(10-4-2)14-17-29)22-19-26(20-23-32)28-15-18-30(31(33)24-28)27-11-7-6-8-12-27/h6-8,11-12,15,18,24-26,29H,3-5,9-10,13-14,16-17,19-23H2,1-2H3
InChIKeyKRDFPUFCHHQFGP-UHFFFAOYSA-N
XLogP10.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.71
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(4-pentylcyclohexyl)-1-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 3093740
CID 19609422
CID 19609422
CID 19080569
CID 19080569
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-heptylbenzene
CID 67729720
tris(4-(4-butylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);bis(4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]benzene);tris(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-pentylcyclohexyl)benzene);bis(2-fluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-propylcyclohexyl)benzene);methane
CID 157086367
2,3-difluoro-1-[4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-pentoxybenzene
CID 67729736
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
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
1-[4-(4-butylcyclohexyl)-2-fluorophenyl]-3,5-difluorobenzene
CID 139710939
1-(3-fluorophenyl)-4-(4-pentylcyclohexyl)-2-phenylbenzene
CID 18647585
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene?
The IUPAC name of 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene (CID 69196530) is 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene.
What is the SMILES notation for 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene?
The canonical SMILES for 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene is CCCCCC1(C2CCC(CCC)CC2)CCC(c2ccc(-c3ccccc3)c(F)c2)CC1.
What is the InChIKey of 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene?
The InChIKey is KRDFPUFCHHQFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45F/c1-3-5-9-21-32(29-16-13-25(10-4-2)14-17-29)22-19-26(20-23-32)28-15-18-30(31(33)24-28)27-11-7-6-8-12-27/h6-8,11-12,15,18,24-26,29H,3-5,9-10,13-14,16-17,19-23H2,1-2H3.
What are the key properties of 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene?
2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene has a molecular weight of 448.71 g/mol, XLogP of 10.32, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-pentyl-4-(4-propylcyclohexyl)cyclohexyl]-1-phenylbenzene is sourced from PubChem (CID 69196530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).