1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene

C25H32F2 — CID 20663512

IUPAC1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene
SMILESFCCCCCCCc1ccc(C2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H32F2/c26-19-5-3-1-2-4-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17-25(27)18-16-24/h7-10,15-18,22-23H,1-6,11-14,19H2
InChIKeyDUDLIQRDIUFAEV-UHFFFAOYSA-N
MW370.53 g/mol
LogP7.73
Rot. Bonds9

About 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene

1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene (PubChem CID 20663512) has the molecular formula C25H32F2 and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene
PubChem CID20663512
Molecular FormulaC25H32F2
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Name1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene
SMILESFCCCCCCCc1ccc(C2CCC(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H32F2/c26-19-5-3-1-2-4-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17-25(27)18-16-24/h7-10,15-18,22-23H,1-6,11-14,19H2
InChIKeyDUDLIQRDIUFAEV-UHFFFAOYSA-N
XLogP7.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]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-fluoro-4-[4-(4-fluorophenyl)cyclohexyl]benzene
CID 122631633
1-(5-fluoropentyl)-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 21265136
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-(4-cyclopropylphenyl)-N-[(4-fluorophenyl)methyl]methanamine
CID 79979256
1-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 21265277
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
4-(4-cyclopentylphenyl)butan-1-amine
CID 117310056
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846844
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-fluoro-4-(4-fluorocyclohexyl)benzene
CID 23539867

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene?
The IUPAC name of 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene (CID 20663512) is 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene is FCCCCCCCc1ccc(C2CCC(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene?
The InChIKey is DUDLIQRDIUFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2/c26-19-5-3-1-2-4-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-17-25(27)18-16-24/h7-10,15-18,22-23H,1-6,11-14,19H2.
What are the key properties of 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene?
1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene has a molecular weight of 370.53 g/mol, XLogP of 7.73, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-[4-(7-fluoroheptyl)phenyl]cyclohexyl]benzene is sourced from PubChem (CID 20663512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).