4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile

C18H10F3N — CID 165178293

IUPAC4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3cc2C(F)(F)F)cc1
InChIInChI=1S/C18H10F3N/c19-18(20,21)17-10-15-4-2-1-3-14(15)9-16(17)13-7-5-12(11-22)6-8-13/h1-10H
InChIKeyKFHBNZXHJXUMPA-UHFFFAOYSA-N
MW297.28 g/mol
LogP5.40
Rot. Bonds1

About 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile

4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile (PubChem CID 165178293) has the molecular formula C18H10F3N and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile
PubChem CID165178293
Molecular FormulaC18H10F3N
Molecular Weight297.28 g/mol
Exact Mass297.08
IUPAC Name4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2cc3ccccc3cc2C(F)(F)F)cc1
InChIInChI=1S/C18H10F3N/c19-18(20,21)17-10-15-4-2-1-3-14(15)9-16(17)13-7-5-12(11-22)6-8-13/h1-10H
InChIKeyKFHBNZXHJXUMPA-UHFFFAOYSA-N
XLogP5.40
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.28
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-phenylphenyl)-3-(trifluoromethyl)benzonitrile
CID 138675545
4-phenanthren-9-ylbenzonitrile
CID 89027020
4-anthracen-1-ylbenzonitrile
CID 151714314
4-[3-(N-phenylanilino)naphthalen-2-yl]benzonitrile
CID 155133337
2-amino-6-(4-cyanophenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 5229657
4-[5-methyl-4-(2-methylsulfanylethyl)-2-(trifluoromethyl)phenyl]benzonitrile
CID 173202854
4-[9-[2-[3,6-bis(4-cyanophenyl)carbazol-9-yl]-5-(6-phenyl-2-pyridinyl)-4-(trifluoromethyl)phenyl]-6-(4-cyanophenyl)carbazol-3-yl]benzonitrile
CID 155216775
methyl 2-amino-5-(4-cyanophenyl)-4-(trifluoromethyl)benzoate
CID 11965699
2,3-bis(trifluoromethyl)tetracene
CID 22151700
4-[3,6,8-tri(phenanthren-9-yl)pyren-1-yl]benzonitrile
CID 59391266
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)naphthalen-2-yl]naphthalen-2-yl]benzonitrile
CID 146654074
4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 11381476

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile?
The IUPAC name of 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile (CID 165178293) is 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile.
What is the SMILES notation for 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile?
The canonical SMILES for 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile is N#Cc1ccc(-c2cc3ccccc3cc2C(F)(F)F)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile?
The InChIKey is KFHBNZXHJXUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F3N/c19-18(20,21)17-10-15-4-2-1-3-14(15)9-16(17)13-7-5-12(11-22)6-8-13/h1-10H.
What are the key properties of 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile?
4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile has a molecular weight of 297.28 g/mol, XLogP of 5.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)naphthalen-2-yl]benzonitrile is sourced from PubChem (CID 165178293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).