4-(trifluoromethoxy)naphthalene-1-carbonitrile

C12H6F3NO — CID 118819268

IUPAC4-(trifluoromethoxy)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(OC(F)(F)F)c2ccccc12
InChIInChI=1S/C12H6F3NO/c13-12(14,15)17-11-6-5-8(7-16)9-3-1-2-4-10(9)11/h1-6H
InChIKeyHNOIXCYOSYXDDC-UHFFFAOYSA-N
MW237.18 g/mol
LogP3.61
Rot. Bonds1

About 4-(trifluoromethoxy)naphthalene-1-carbonitrile

4-(trifluoromethoxy)naphthalene-1-carbonitrile (PubChem CID 118819268) has the molecular formula C12H6F3NO and a molecular weight of 237.18 g/mol. Its IUPAC name is 4-(trifluoromethoxy)naphthalene-1-carbonitrile.

Molecular Properties

Compound Name4-(trifluoromethoxy)naphthalene-1-carbonitrile
PubChem CID118819268
Molecular FormulaC12H6F3NO
Molecular Weight237.18 g/mol
Exact Mass237.04
IUPAC Name4-(trifluoromethoxy)naphthalene-1-carbonitrile
SMILESN#Cc1ccc(OC(F)(F)F)c2ccccc12
InChIInChI=1S/C12H6F3NO/c13-12(14,15)17-11-6-5-8(7-16)9-3-1-2-4-10(9)11/h1-6H
InChIKeyHNOIXCYOSYXDDC-UHFFFAOYSA-N
XLogP3.61
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-iodo-2-(trifluoromethoxy)benzonitrile
CID 121228614
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
4-(2-cyclopropylethoxy)naphthalene-1-carbonitrile
CID 106201503
2-[5-(trifluoromethoxy)naphthalen-1-yl]acetonitrile
CID 166641126
2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzonitrile
CID 134628099
3-(bromomethyl)-2-(trifluoromethoxy)benzonitrile
CID 131412754
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
CID 63511232
(2-cyanophenyl) 2-(trifluoromethoxy)benzenesulfonate
CID 31066232
4-(3-methylbut-3-enoxy)naphthalene-1-carbonitrile
CID 114088515
4-cyano-3-(trifluoromethoxy)benzoyl chloride
CID 171028559
2-[2-(trifluoromethoxy)phenyl]pyrimidine-5-carbonitrile
CID 11391442
6-[N-iodo-2-(trifluoromethoxy)anilino]dibenzofuran-4-carbonitrile
CID 137416461

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)naphthalene-1-carbonitrile?
The IUPAC name of 4-(trifluoromethoxy)naphthalene-1-carbonitrile (CID 118819268) is 4-(trifluoromethoxy)naphthalene-1-carbonitrile.
What is the SMILES notation for 4-(trifluoromethoxy)naphthalene-1-carbonitrile?
The canonical SMILES for 4-(trifluoromethoxy)naphthalene-1-carbonitrile is N#Cc1ccc(OC(F)(F)F)c2ccccc12.
What is the InChIKey of 4-(trifluoromethoxy)naphthalene-1-carbonitrile?
The InChIKey is HNOIXCYOSYXDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NO/c13-12(14,15)17-11-6-5-8(7-16)9-3-1-2-4-10(9)11/h1-6H.
What are the key properties of 4-(trifluoromethoxy)naphthalene-1-carbonitrile?
4-(trifluoromethoxy)naphthalene-1-carbonitrile has a molecular weight of 237.18 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)naphthalene-1-carbonitrile is sourced from PubChem (CID 118819268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).