3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol

C15H22F2O — CID 90411193

IUPAC3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
SMILESCCCC1CCC(C2(O)C=C(F)C=C(F)C2)CC1
InChIInChI=1S/C15H22F2O/c1-2-3-11-4-6-12(7-5-11)15(18)9-13(16)8-14(17)10-15/h8-9,11-12,18H,2-7,10H2,1H3
InChIKeyNBRMTPBNEJUICS-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.43
Rot. Bonds3

About 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol

3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol (PubChem CID 90411193) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
PubChem CID90411193
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol
SMILESCCCC1CCC(C2(O)C=C(F)C=C(F)C2)CC1
InChIInChI=1S/C15H22F2O/c1-2-3-11-4-6-12(7-5-11)15(18)9-13(16)8-14(17)10-15/h8-9,11-12,18H,2-7,10H2,1H3
InChIKeyNBRMTPBNEJUICS-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol 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 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
The IUPAC name of 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol (CID 90411193) is 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
The canonical SMILES for 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol is CCCC1CCC(C2(O)C=C(F)C=C(F)C2)CC1.
What is the InChIKey of 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
The InChIKey is NBRMTPBNEJUICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-2-3-11-4-6-12(7-5-11)15(18)9-13(16)8-14(17)10-15/h8-9,11-12,18H,2-7,10H2,1H3.
What are the key properties of 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol?
3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol has a molecular weight of 256.34 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-(4-propylcyclohexyl)cyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 90411193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).