2-fluoro-6-naphthalen-1-ylbenzonitrile

C17H10FN — CID 114898445

IUPAC2-fluoro-6-naphthalen-1-ylbenzonitrile
SMILESN#Cc1c(F)cccc1-c1cccc2ccccc12
InChIInChI=1S/C17H10FN/c18-17-10-4-9-15(16(17)11-19)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H
InChIKeyBAADFQYGQFRJLH-UHFFFAOYSA-N
MW247.27 g/mol
LogP4.52
Rot. Bonds1

About 2-fluoro-6-naphthalen-1-ylbenzonitrile

2-fluoro-6-naphthalen-1-ylbenzonitrile (PubChem CID 114898445) has the molecular formula C17H10FN and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-6-naphthalen-1-ylbenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-naphthalen-1-ylbenzonitrile
PubChem CID114898445
Molecular FormulaC17H10FN
Molecular Weight247.27 g/mol
Exact Mass247.08
IUPAC Name2-fluoro-6-naphthalen-1-ylbenzonitrile
SMILESN#Cc1c(F)cccc1-c1cccc2ccccc12
InChIInChI=1S/C17H10FN/c18-17-10-4-9-15(16(17)11-19)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H
InChIKeyBAADFQYGQFRJLH-UHFFFAOYSA-N
XLogP4.52
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-6-naphthalen-2-ylbenzonitrile
CID 114898467
2-tert-butyl-6-naphthalen-1-ylbenzonitrile
CID 90264129
CID 175282704
CID 175282704
bis(1-naphthalen-1-ylnaphthalene);phosphane
CID 175426418
tetrakis(1-naphthalen-1-ylnaphthalene);tetrahydrochloride
CID 173126408
1-naphthalen-1-ylnaphthalene;tetrahydrochloride
CID 68981096
1-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)naphthalene
CID 59169251
2-(2-fluorophenyl)-6-(8-fluoroquinolin-4-yl)benzonitrile
CID 67487927
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
9-(2-fluorophenyl)-10-naphthalen-1-ylanthracene
CID 155682787
3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
CID 175833968
2-fluoro-6-(2-fluoro-5-methylphenyl)benzonitrile
CID 114898449

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-naphthalen-1-ylbenzonitrile?
The IUPAC name of 2-fluoro-6-naphthalen-1-ylbenzonitrile (CID 114898445) is 2-fluoro-6-naphthalen-1-ylbenzonitrile.
What is the SMILES notation for 2-fluoro-6-naphthalen-1-ylbenzonitrile?
The canonical SMILES for 2-fluoro-6-naphthalen-1-ylbenzonitrile is N#Cc1c(F)cccc1-c1cccc2ccccc12.
What is the InChIKey of 2-fluoro-6-naphthalen-1-ylbenzonitrile?
The InChIKey is BAADFQYGQFRJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FN/c18-17-10-4-9-15(16(17)11-19)14-8-3-6-12-5-1-2-7-13(12)14/h1-10H.
What are the key properties of 2-fluoro-6-naphthalen-1-ylbenzonitrile?
2-fluoro-6-naphthalen-1-ylbenzonitrile has a molecular weight of 247.27 g/mol, XLogP of 4.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-naphthalen-1-ylbenzonitrile is sourced from PubChem (CID 114898445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).