2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene

C20H30F2 — CID 19103580

IUPAC2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene
SMILESCCCCCC1CCC(c2ccc(CCC)c(F)c2F)CC1
InChIInChI=1S/C20H30F2/c1-3-5-6-8-15-9-11-16(12-10-15)18-14-13-17(7-4-2)19(21)20(18)22/h13-16H,3-12H2,1-2H3
InChIKeyPUMYEZAPDMPHMV-UHFFFAOYSA-N
MW308.46 g/mol
LogP6.77
Rot. Bonds7

About 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene

2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene (PubChem CID 19103580) has the molecular formula C20H30F2 and a molecular weight of 308.46 g/mol. Its IUPAC name is 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene
PubChem CID19103580
Molecular FormulaC20H30F2
Molecular Weight308.46 g/mol
Exact Mass308.23
IUPAC Name2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene
SMILESCCCCCC1CCC(c2ccc(CCC)c(F)c2F)CC1
InChIInChI=1S/C20H30F2/c1-3-5-6-8-15-9-11-16(12-10-15)18-14-13-17(7-4-2)19(21)20(18)22/h13-16H,3-12H2,1-2H3
InChIKeyPUMYEZAPDMPHMV-UHFFFAOYSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.46
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene?
The IUPAC name of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene (CID 19103580) is 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene.
What is the SMILES notation for 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene?
The canonical SMILES for 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene is CCCCCC1CCC(c2ccc(CCC)c(F)c2F)CC1.
What is the InChIKey of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene?
The InChIKey is PUMYEZAPDMPHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F2/c1-3-5-6-8-15-9-11-16(12-10-15)18-14-13-17(7-4-2)19(21)20(18)22/h13-16H,3-12H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene?
2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene has a molecular weight of 308.46 g/mol, XLogP of 6.77, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene is sourced from PubChem (CID 19103580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).