4-(difluoromethyl)naphthalene-2-carbonitrile

C12H7F2N — CID 119015335

IUPAC4-(difluoromethyl)naphthalene-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c2ccccc2c1
InChIInChI=1S/C12H7F2N/c13-12(14)11-6-8(7-15)5-9-3-1-2-4-10(9)11/h1-6,12H
InChIKeyOCIICMFFSHKBOP-UHFFFAOYSA-N
MW203.19 g/mol
LogP3.65
Rot. Bonds1

About 4-(difluoromethyl)naphthalene-2-carbonitrile

4-(difluoromethyl)naphthalene-2-carbonitrile (PubChem CID 119015335) has the molecular formula C12H7F2N and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(difluoromethyl)naphthalene-2-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)naphthalene-2-carbonitrile
PubChem CID119015335
Molecular FormulaC12H7F2N
Molecular Weight203.19 g/mol
Exact Mass203.05
IUPAC Name4-(difluoromethyl)naphthalene-2-carbonitrile
SMILESN#Cc1cc(C(F)F)c2ccccc2c1
InChIInChI=1S/C12H7F2N/c13-12(14)11-6-8(7-15)5-9-3-1-2-4-10(9)11/h1-6,12H
InChIKeyOCIICMFFSHKBOP-UHFFFAOYSA-N
XLogP3.65
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromonaphthalene-2-carbonitrile
CID 53485698
1-(difluoromethyl)-3-iodonaphthalene
CID 118847241
4-formylnaphthalene-2-carbonitrile
CID 86010099
4-phenanthren-9-ylbenzonitrile
CID 89027020
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
3-[(R)-hydroxy(naphthalen-1-yl)methyl]benzonitrile
CID 102032186
2-(difluoromethyl)benzonitrile
CID 57421356
anthracene-2,9-dicarbonitrile
CID 22395387
4-benzylsulfanyl-3-(difluoromethyl)benzonitrile
CID 139325537
3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
CID 81287439
12-methyl-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene-7-carbonitrile
CID 118860561
(3S)-3-amino-3-phenanthren-9-ylpropanenitrile;hydrochloride
CID 171260147

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)naphthalene-2-carbonitrile?
The IUPAC name of 4-(difluoromethyl)naphthalene-2-carbonitrile (CID 119015335) is 4-(difluoromethyl)naphthalene-2-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)naphthalene-2-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)naphthalene-2-carbonitrile is N#Cc1cc(C(F)F)c2ccccc2c1.
What is the InChIKey of 4-(difluoromethyl)naphthalene-2-carbonitrile?
The InChIKey is OCIICMFFSHKBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N/c13-12(14)11-6-8(7-15)5-9-3-1-2-4-10(9)11/h1-6,12H.
What are the key properties of 4-(difluoromethyl)naphthalene-2-carbonitrile?
4-(difluoromethyl)naphthalene-2-carbonitrile has a molecular weight of 203.19 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)naphthalene-2-carbonitrile is sourced from PubChem (CID 119015335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).