5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene

C24H35F3 — CID 22446764

IUPAC5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene
SMILESFc1cc(CCC2CCC(CCCCCC3CCCC3)CC2)cc(F)c1F
InChIInChI=1S/C24H35F3/c25-22-16-21(17-23(26)24(22)27)15-14-20-12-10-19(11-13-20)7-3-1-2-6-18-8-4-5-9-18/h16-20H,1-15H2
InChIKeySRGJTPKRSIQTEA-UHFFFAOYSA-N
MW380.54 g/mol
LogP7.98
Rot. Bonds9

About 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene

5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene (PubChem CID 22446764) has the molecular formula C24H35F3 and a molecular weight of 380.54 g/mol. Its IUPAC name is 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene
PubChem CID22446764
Molecular FormulaC24H35F3
Molecular Weight380.54 g/mol
Exact Mass380.27
IUPAC Name5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene
SMILESFc1cc(CCC2CCC(CCCCCC3CCCC3)CC2)cc(F)c1F
InChIInChI=1S/C24H35F3/c25-22-16-21(17-23(26)24(22)27)15-14-20-12-10-19(11-13-20)7-3-1-2-6-18-8-4-5-9-18/h16-20H,1-15H2
InChIKeySRGJTPKRSIQTEA-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 57.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene 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

1,2,3-trifluoro-5-[2-[4-(4-pent-4-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54125940
2-[bromo(difluoro)methyl]-1,3-difluoro-5-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 20653978
5-[2-[4-[(E)-but-2-enyl]cyclohexyl]ethyl]-1,2,3-trifluorobenzene
CID 67588710
1,2,3-trifluoro-5-[2-[4-(4-hept-4-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54493885
1,2,3-trifluoro-5-[2-[4-[(E)-hex-3-enyl]cyclohexyl]ethyl]benzene
CID 67589901
5-[2-(1-cyclohexyl-4-hexylcyclohexyl)ethyl]-1,2,3-trifluorobenzene
CID 67923341
1-[4-[2-(3,4,5-trifluorophenyl)ethyl]cyclohexyl]cyclohexane-1-carbaldehyde
CID 54494816
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
1,2,3-trifluoro-5-[2-[4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexyl]ethyl]benzene
CID 67590146
1,2,3-trifluoro-5-[2-[4-[4-(5-fluoropent-1-enyl)cyclohexyl]cyclohexyl]ethyl]benzene
CID 54111365
4-[2-[4-(4-decylcyclohexyl)cyclohexyl]ethyl]-2,6-difluorobenzonitrile
CID 67895957
5-(2-cyclopropylethyl)-1,3-difluoro-2-propan-2-ylbenzene
CID 167149931

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene (CID 22446764) is 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene is Fc1cc(CCC2CCC(CCCCCC3CCCC3)CC2)cc(F)c1F.
What is the InChIKey of 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene?
The InChIKey is SRGJTPKRSIQTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F3/c25-22-16-21(17-23(26)24(22)27)15-14-20-12-10-19(11-13-20)7-3-1-2-6-18-8-4-5-9-18/h16-20H,1-15H2.
What are the key properties of 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene?
5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene has a molecular weight of 380.54 g/mol, XLogP of 7.98, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-cyclopentylpentyl)cyclohexyl]ethyl]-1,2,3-trifluorobenzene is sourced from PubChem (CID 22446764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).