2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile

C16H19F2NO — CID 58782896

IUPAC2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile
SMILESCCCC1CCC(c2cc(F)c(C#N)c(F)c2O)CC1
InChIInChI=1S/C16H19F2NO/c1-2-3-10-4-6-11(7-5-10)12-8-14(17)13(9-19)15(18)16(12)20/h8,10-11,20H,2-7H2,1H3
InChIKeyDHEUABJGQNMAOT-UHFFFAOYSA-N
MW279.33 g/mol
LogP4.62
Rot. Bonds3

About 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile

2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile (PubChem CID 58782896) has the molecular formula C16H19F2NO and a molecular weight of 279.33 g/mol. Its IUPAC name is 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile
PubChem CID58782896
Molecular FormulaC16H19F2NO
Molecular Weight279.33 g/mol
Exact Mass279.14
IUPAC Name2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile
SMILESCCCC1CCC(c2cc(F)c(C#N)c(F)c2O)CC1
InChIInChI=1S/C16H19F2NO/c1-2-3-10-4-6-11(7-5-10)12-8-14(17)13(9-19)15(18)16(12)20/h8,10-11,20H,2-7H2,1H3
InChIKeyDHEUABJGQNMAOT-UHFFFAOYSA-N
XLogP4.62
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile 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

1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
2-fluoro-4-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-hydroxybenzonitrile
CID 58782892
4-[4-[3-(4-butylcyclohexyl)propyl]cyclohexyl]-2,6-difluorobenzonitrile
CID 139725215
2,6-difluoro-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 20708995
2,6-difluoro-4-[4-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]phenyl]benzonitrile
CID 102416028
4-[2-[3-fluoro-4-(4-propylcyclohexyl)phenyl]ethyl]benzonitrile
CID 70412326
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-(4-cyano-3,5-difluorophenyl)-4-propylcyclohexane-1-carboxylic acid
CID 57255479
2,6-difluoro-4-[2-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]ethyl]benzonitrile
CID 139871120
2,6-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzonitrile
CID 54532479
6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 122523204
2,6-difluoro-4-[6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzonitrile
CID 139837260

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile?
The IUPAC name of 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile (CID 58782896) is 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile.
What is the SMILES notation for 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile?
The canonical SMILES for 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile is CCCC1CCC(c2cc(F)c(C#N)c(F)c2O)CC1.
What is the InChIKey of 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile?
The InChIKey is DHEUABJGQNMAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO/c1-2-3-10-4-6-11(7-5-10)12-8-14(17)13(9-19)15(18)16(12)20/h8,10-11,20H,2-7H2,1H3.
What are the key properties of 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile?
2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile has a molecular weight of 279.33 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile is sourced from PubChem (CID 58782896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).