8-(difluoromethoxy)naphthalene-1-carbonitrile

C12H7F2NO — CID 118824832

IUPAC8-(difluoromethoxy)naphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(OC(F)F)c12
InChIInChI=1S/C12H7F2NO/c13-12(14)16-10-6-2-4-8-3-1-5-9(7-15)11(8)10/h1-6,12H
InChIKeyCIQSKKJUQUFMAL-UHFFFAOYSA-N
MW219.19 g/mol
LogP3.31
Rot. Bonds2

About 8-(difluoromethoxy)naphthalene-1-carbonitrile

8-(difluoromethoxy)naphthalene-1-carbonitrile (PubChem CID 118824832) has the molecular formula C12H7F2NO and a molecular weight of 219.19 g/mol. Its IUPAC name is 8-(difluoromethoxy)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name8-(difluoromethoxy)naphthalene-1-carbonitrile
PubChem CID118824832
Molecular FormulaC12H7F2NO
Molecular Weight219.19 g/mol
Exact Mass219.05
IUPAC Name8-(difluoromethoxy)naphthalene-1-carbonitrile
SMILESN#Cc1cccc2cccc(OC(F)F)c12
InChIInChI=1S/C12H7F2NO/c13-12(14)16-10-6-2-4-8-3-1-5-9(7-15)11(8)10/h1-6,12H
InChIKeyCIQSKKJUQUFMAL-UHFFFAOYSA-N
XLogP3.31
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(difluoromethoxy)naphthalene-1-carbonitrile 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-bromo-3-(difluoromethoxy)benzonitrile
CID 118996349
6-(difluoromethoxy)naphthalene-1-carbonitrile
CID 118813552
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
2-(difluoromethoxy)-4-fluorobenzonitrile
CID 59295388
2-(difluoromethoxy)-6-fluorobenzonitrile
CID 23448361
2-[3-(difluoromethoxy)phenoxy]benzonitrile
CID 23001279
8-(difluoromethoxy)isoquinolin-1-amine
CID 154728176
2-[2-(difluoromethoxy)phenyl]-1H-benzimidazole-4-carbonitrile
CID 104720431
2-[2-(difluoromethoxy)anilino]-3-methylbenzonitrile
CID 107106440
naphthalene-1,2,8-tricarbonitrile
CID 54287628
[2-(difluoromethoxy)phenyl] cyanate
CID 174981539
3-(difluoromethoxy)-2-(5-formyl-4-methyl-1,3-thiazol-2-yl)benzonitrile
CID 178133078

Frequently Asked Questions

What is the IUPAC name of 8-(difluoromethoxy)naphthalene-1-carbonitrile?
The IUPAC name of 8-(difluoromethoxy)naphthalene-1-carbonitrile (CID 118824832) is 8-(difluoromethoxy)naphthalene-1-carbonitrile.
What is the SMILES notation for 8-(difluoromethoxy)naphthalene-1-carbonitrile?
The canonical SMILES for 8-(difluoromethoxy)naphthalene-1-carbonitrile is N#Cc1cccc2cccc(OC(F)F)c12.
What is the InChIKey of 8-(difluoromethoxy)naphthalene-1-carbonitrile?
The InChIKey is CIQSKKJUQUFMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO/c13-12(14)16-10-6-2-4-8-3-1-5-9(7-15)11(8)10/h1-6,12H.
What are the key properties of 8-(difluoromethoxy)naphthalene-1-carbonitrile?
8-(difluoromethoxy)naphthalene-1-carbonitrile has a molecular weight of 219.19 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(difluoromethoxy)naphthalene-1-carbonitrile is sourced from PubChem (CID 118824832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).