5-(difluoromethoxy)naphthalene-2-carbonitrile

C12H7F2NO — CID 133084193

IUPAC5-(difluoromethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(OC(F)F)cccc2c1
InChIInChI=1S/C12H7F2NO/c13-12(14)16-11-3-1-2-9-6-8(7-15)4-5-10(9)11/h1-6,12H
InChIKeyLOGAAUOFHCRAQP-UHFFFAOYSA-N
MW219.19 g/mol
LogP3.31
Rot. Bonds2

About 5-(difluoromethoxy)naphthalene-2-carbonitrile

5-(difluoromethoxy)naphthalene-2-carbonitrile (PubChem CID 133084193) has the molecular formula C12H7F2NO and a molecular weight of 219.19 g/mol. Its IUPAC name is 5-(difluoromethoxy)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethoxy)naphthalene-2-carbonitrile
PubChem CID133084193
Molecular FormulaC12H7F2NO
Molecular Weight219.19 g/mol
Exact Mass219.05
IUPAC Name5-(difluoromethoxy)naphthalene-2-carbonitrile
SMILESN#Cc1ccc2c(OC(F)F)cccc2c1
InChIInChI=1S/C12H7F2NO/c13-12(14)16-11-3-1-2-9-6-8(7-15)4-5-10(9)11/h1-6,12H
InChIKeyLOGAAUOFHCRAQP-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

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)naphthalene-2-carbonitrile?
The IUPAC name of 5-(difluoromethoxy)naphthalene-2-carbonitrile (CID 133084193) is 5-(difluoromethoxy)naphthalene-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethoxy)naphthalene-2-carbonitrile?
The canonical SMILES for 5-(difluoromethoxy)naphthalene-2-carbonitrile is N#Cc1ccc2c(OC(F)F)cccc2c1.
What is the InChIKey of 5-(difluoromethoxy)naphthalene-2-carbonitrile?
The InChIKey is LOGAAUOFHCRAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2NO/c13-12(14)16-11-3-1-2-9-6-8(7-15)4-5-10(9)11/h1-6,12H.
What are the key properties of 5-(difluoromethoxy)naphthalene-2-carbonitrile?
5-(difluoromethoxy)naphthalene-2-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 5-(difluoromethoxy)naphthalene-2-carbonitrile is sourced from PubChem (CID 133084193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).