2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile

C13H8F3N — CID 119014714

IUPAC2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C13H8F3N/c14-13(15,16)12-6-5-9-3-1-2-4-10(9)11(12)7-8-17/h1-6H,7H2
InChIKeyMFUXFOUZMNXDGA-UHFFFAOYSA-N
MW235.21 g/mol
LogP3.92
Rot. Bonds1

About 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile

2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile (PubChem CID 119014714) has the molecular formula C13H8F3N and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
PubChem CID119014714
Molecular FormulaC13H8F3N
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
SMILESN#CCc1c(C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C13H8F3N/c14-13(15,16)12-6-5-9-3-1-2-4-10(9)11(12)7-8-17/h1-6H,7H2
InChIKeyMFUXFOUZMNXDGA-UHFFFAOYSA-N
XLogP3.92
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile?
The IUPAC name of 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile (CID 119014714) is 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile?
The canonical SMILES for 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile is N#CCc1c(C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile?
The InChIKey is MFUXFOUZMNXDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N/c14-13(15,16)12-6-5-9-3-1-2-4-10(9)11(12)7-8-17/h1-6H,7H2.
What are the key properties of 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile?
2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile has a molecular weight of 235.21 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile is sourced from PubChem (CID 119014714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).