2-(2,5-difluorophenyl)-2-ethoxyacetonitrile

C10H9F2NO — CID 66071519

IUPAC2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1cc(F)ccc1F
InChIInChI=1S/C10H9F2NO/c1-2-14-10(6-13)8-5-7(11)3-4-9(8)12/h3-5,10H,2H2,1H3
InChIKeyPUNFQFLHUANMMN-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.57
Rot. Bonds3

About 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile

2-(2,5-difluorophenyl)-2-ethoxyacetonitrile (PubChem CID 66071519) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
PubChem CID66071519
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(2,5-difluorophenyl)-2-ethoxyacetonitrile
SMILESCCOC(C#N)c1cc(F)ccc1F
InChIInChI=1S/C10H9F2NO/c1-2-14-10(6-13)8-5-7(11)3-4-9(8)12/h3-5,10H,2H2,1H3
InChIKeyPUNFQFLHUANMMN-UHFFFAOYSA-N
XLogP2.57
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile 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-ethoxy-2-(2-methoxyphenyl)acetonitrile
CID 66073171
(2S)-2-(2-ethoxy-5-fluorophenyl)-2-trimethylsilyloxyacetonitrile
CID 125466839
(2S)-2-amino-2-(2,5-difluorophenyl)acetonitrile
CID 51887355
1-(2,5-difluorophenyl)-2-ethoxy-2-phenylethanol
CID 116757204
2-(2,5-dimethoxyphenyl)-2-ethoxyacetonitrile
CID 66072961
1-(2,5-difluorophenyl)-N-ethoxyethanamine
CID 115282507
2-(2,3-dichlorophenyl)-2-ethoxyacetonitrile
CID 66071304
2-ethoxy-2-(4-ethoxyphenyl)acetonitrile
CID 66072555
2-(1-chloro-2-methylbutyl)-1,4-difluorobenzene
CID 61086565
(S)-diethoxyphosphoryl-(2,5-difluorophenyl)methanamine
CID 171191756
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
2-(2,5-difluorophenyl)-2-isocyanatoacetonitrile
CID 82885512

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile?
The IUPAC name of 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile (CID 66071519) is 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile is CCOC(C#N)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile?
The InChIKey is PUNFQFLHUANMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-2-14-10(6-13)8-5-7(11)3-4-9(8)12/h3-5,10H,2H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile?
2-(2,5-difluorophenyl)-2-ethoxyacetonitrile has a molecular weight of 197.18 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-ethoxyacetonitrile is sourced from PubChem (CID 66071519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).