2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile

C18H13FN2 — CID 61006567

IUPAC2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
SMILESN#CC(Nc1ccccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H13FN2/c19-16-7-3-4-8-17(16)21-18(12-20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18,21H
InChIKeyQSPHPCURLBMPDY-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.66
Rot. Bonds3

About 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile

2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile (PubChem CID 61006567) has the molecular formula C18H13FN2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile.

Molecular Properties

Compound Name2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
PubChem CID61006567
Molecular FormulaC18H13FN2
Molecular Weight276.31 g/mol
Exact Mass276.11
IUPAC Name2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile
SMILESN#CC(Nc1ccccc1F)c1ccc2ccccc2c1
InChIInChI=1S/C18H13FN2/c19-16-7-3-4-8-17(16)21-18(12-20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18,21H
InChIKeyQSPHPCURLBMPDY-UHFFFAOYSA-N
XLogP4.66
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile?
The IUPAC name of 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile (CID 61006567) is 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile.
What is the SMILES notation for 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile?
The canonical SMILES for 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile is N#CC(Nc1ccccc1F)c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile?
The InChIKey is QSPHPCURLBMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2/c19-16-7-3-4-8-17(16)21-18(12-20)15-10-9-13-5-1-2-6-14(13)11-15/h1-11,18,21H.
What are the key properties of 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile?
2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile has a molecular weight of 276.31 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-2-naphthalen-2-ylacetonitrile is sourced from PubChem (CID 61006567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).