2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile

C12H14F2N2O — CID 107479568

IUPAC2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(N(CCO)CC(F)F)c1
InChIInChI=1S/C12H14F2N2O/c1-9-2-3-10(7-15)11(6-9)16(4-5-17)8-12(13)14/h2-3,6,12,17H,4-5,8H2,1H3
InChIKeyARCVYGVXJXJDTG-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.93
Rot. Bonds5

About 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile (PubChem CID 107479568) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
PubChem CID107479568
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(N(CCO)CC(F)F)c1
InChIInChI=1S/C12H14F2N2O/c1-9-2-3-10(7-15)11(6-9)16(4-5-17)8-12(13)14/h2-3,6,12,17H,4-5,8H2,1H3
InChIKeyARCVYGVXJXJDTG-UHFFFAOYSA-N
XLogP1.93
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile 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

2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-fluorobenzonitrile
CID 107479576
2-(N-(2-amino-2-oxoethyl)-2-cyano-5-methylanilino)acetamide
CID 62921927
2-[ethyl(2,2,2-trifluoroethyl)amino]-4-methylbenzonitrile
CID 62301790
4-methyl-2-[2-methylpropyl(propan-2-yl)amino]benzonitrile
CID 62303808
2-[ethyl(2-methylprop-2-enyl)amino]-4-methylbenzonitrile
CID 62303454
2-[2-[(1R)-1-aminoethyl]-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480549
2-[cyclobutyl(3-hydroxypropyl)amino]-4-methylbenzonitrile
CID 102862350
3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
2-[ethyl(2-hydroxyethyl)amino]-4-methoxybenzonitrile
CID 81299044
4-methyl-2-[methyl(2-methylbutyl)amino]benzonitrile
CID 62302619
2-[4-(1-aminoethyl)-2-chloro-N-(2,2-difluoroethyl)anilino]ethanol
CID 107480561
4-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzonitrile
CID 62302137

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile?
The IUPAC name of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile (CID 107479568) is 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile?
The canonical SMILES for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile is Cc1ccc(C#N)c(N(CCO)CC(F)F)c1.
What is the InChIKey of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile?
The InChIKey is ARCVYGVXJXJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-9-2-3-10(7-15)11(6-9)16(4-5-17)8-12(13)14/h2-3,6,12,17H,4-5,8H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile?
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile has a molecular weight of 240.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-4-methylbenzonitrile is sourced from PubChem (CID 107479568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).