2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile

C9H5F4N — CID 119002717

IUPAC2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile
SMILESN#CCc1c(F)ccc(C(F)F)c1F
InChIInChI=1S/C9H5F4N/c10-7-2-1-6(9(12)13)8(11)5(7)3-4-14/h1-2,9H,3H2
InChIKeyDTEQNYHSNLJPNF-UHFFFAOYSA-N
MW203.14 g/mol
LogP2.97
Rot. Bonds2

About 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile

2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile (PubChem CID 119002717) has the molecular formula C9H5F4N and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile
PubChem CID119002717
Molecular FormulaC9H5F4N
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile
SMILESN#CCc1c(F)ccc(C(F)F)c1F
InChIInChI=1S/C9H5F4N/c10-7-2-1-6(9(12)13)8(11)5(7)3-4-14/h1-2,9H,3H2
InChIKeyDTEQNYHSNLJPNF-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile 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-(3-chloro-2,6-difluorophenyl)acetonitrile
CID 2773576
2-[2-bromo-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetonitrile
CID 119011505
2-(cyanomethyl)-3,4-difluorobenzonitrile
CID 130896726
CID 168906625
CID 168906625
2-[2,6-difluoro-3-(methoxymethyl)phenyl]acetonitrile
CID 117286623
2-[3-(difluoromethyl)-2-methoxy-6-methylphenyl]acetonitrile
CID 84781471
2-[3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetonitrile
CID 130081790
2-[4-(difluoromethyl)-2-fluoro-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118835128
2-(3-bromo-6-fluoro-2-hydroxyphenyl)acetonitrile
CID 84793424
2-(3-chloro-6-fluoro-2-iodophenyl)acetonitrile
CID 171004728
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563
2-[6-chloro-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetonitrile
CID 130071857

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile?
The IUPAC name of 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile (CID 119002717) is 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile.
What is the SMILES notation for 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile?
The canonical SMILES for 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile is N#CCc1c(F)ccc(C(F)F)c1F.
What is the InChIKey of 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile?
The InChIKey is DTEQNYHSNLJPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F4N/c10-7-2-1-6(9(12)13)8(11)5(7)3-4-14/h1-2,9H,3H2.
What are the key properties of 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile?
2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile has a molecular weight of 203.14 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2,6-difluorophenyl]acetonitrile is sourced from PubChem (CID 119002717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).