1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene

C16H22F2O — CID 14765971

IUPAC1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H22F2O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h8-13,16H,2-7H2,1H3
InChIKeyUFXZCYCLYFOMOP-UHFFFAOYSA-N
MW268.35 g/mol
LogP5.36
Rot. Bonds5

About 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene

1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene (PubChem CID 14765971) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene
PubChem CID14765971
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene
SMILESCCCC1CCC(c2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C16H22F2O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h8-13,16H,2-7H2,1H3
InChIKeyUFXZCYCLYFOMOP-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.35
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene 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 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene (CID 14765971) is 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene is CCCC1CCC(c2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene?
The InChIKey is UFXZCYCLYFOMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)19-16(17)18/h8-13,16H,2-7H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene?
1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene has a molecular weight of 268.35 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-(4-propylcyclohexyl)benzene is sourced from PubChem (CID 14765971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).