3-fluoronaphthalene-2-carbonitrile

C11H6FN — CID 53485645

IUPAC3-fluoronaphthalene-2-carbonitrile
SMILESN#Cc1cc2ccccc2cc1F
InChIInChI=1S/C11H6FN/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-6H
InChIKeyQTFFIQLGKSGCNH-UHFFFAOYSA-N
MW171.17 g/mol
LogP2.85
Rot. Bonds

About 3-fluoronaphthalene-2-carbonitrile

3-fluoronaphthalene-2-carbonitrile (PubChem CID 53485645) has the molecular formula C11H6FN and a molecular weight of 171.17 g/mol. Its IUPAC name is 3-fluoronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name3-fluoronaphthalene-2-carbonitrile
PubChem CID53485645
Molecular FormulaC11H6FN
Molecular Weight171.17 g/mol
Exact Mass171.05
IUPAC Name3-fluoronaphthalene-2-carbonitrile
SMILESN#Cc1cc2ccccc2cc1F
InChIInChI=1S/C11H6FN/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-6H
InChIKeyQTFFIQLGKSGCNH-UHFFFAOYSA-N
XLogP2.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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6-fluoro-1-benzofuran-5-carbonitrile
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2-fluoroanthracene-1-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-fluoronaphthalene-2-carbonitrile?
The IUPAC name of 3-fluoronaphthalene-2-carbonitrile (CID 53485645) is 3-fluoronaphthalene-2-carbonitrile.
What is the SMILES notation for 3-fluoronaphthalene-2-carbonitrile?
The canonical SMILES for 3-fluoronaphthalene-2-carbonitrile is N#Cc1cc2ccccc2cc1F.
What is the InChIKey of 3-fluoronaphthalene-2-carbonitrile?
The InChIKey is QTFFIQLGKSGCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-6H.
What are the key properties of 3-fluoronaphthalene-2-carbonitrile?
3-fluoronaphthalene-2-carbonitrile has a molecular weight of 171.17 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoronaphthalene-2-carbonitrile is sourced from PubChem (CID 53485645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).