2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile

C13H9F2N — CID 118852879

IUPAC2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile
SMILESN#CCc1ccc2ccccc2c1C(F)F
InChIInChI=1S/C13H9F2N/c14-13(15)12-10(7-8-16)6-5-9-3-1-2-4-11(9)12/h1-6,13H,7H2
InChIKeyHMAAOHJBMODZIZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.84
Rot. Bonds2

About 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile

2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile (PubChem CID 118852879) has the molecular formula C13H9F2N and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile
PubChem CID118852879
Molecular FormulaC13H9F2N
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile
SMILESN#CCc1ccc2ccccc2c1C(F)F
InChIInChI=1S/C13H9F2N/c14-13(15)12-10(7-8-16)6-5-9-3-1-2-4-11(9)12/h1-6,13H,7H2
InChIKeyHMAAOHJBMODZIZ-UHFFFAOYSA-N
XLogP3.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[1-(difluoromethyl)naphthalen-2-yl]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-chloro-1-(difluoromethyl)naphthalene
CID 119014029
ethane;2-isoquinolin-4-ylacetonitrile
CID 171567075
2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile
CID 23618057
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-[2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 118855296
2-[2-chloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119010061
2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 119017114
2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 119014714
2-(4-benzylnaphthalen-1-yl)acetonitrile
CID 11054322
2-(2-aminonaphthalen-1-yl)acetonitrile
CID 119016645
4-(cyanomethyl)-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106941
2-(3,4-dimethoxy-2-propan-2-ylphenyl)acetonitrile
CID 19838196

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile?
The IUPAC name of 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile (CID 118852879) is 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile is N#CCc1ccc2ccccc2c1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile?
The InChIKey is HMAAOHJBMODZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N/c14-13(15)12-10(7-8-16)6-5-9-3-1-2-4-11(9)12/h1-6,13H,7H2.
What are the key properties of 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile?
2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile has a molecular weight of 217.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile is sourced from PubChem (CID 118852879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).