5-(trifluoromethyl)thiophene-3-carbonitrile

C6H2F3NS — CID 13398696

IUPAC5-(trifluoromethyl)thiophene-3-carbonitrile
SMILESN#Cc1csc(C(F)(F)F)c1
InChIInChI=1S/C6H2F3NS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3H
InChIKeyOHMBUMZOVOFRPL-UHFFFAOYSA-N
MW177.15 g/mol
LogP2.64
Rot. Bonds

About 5-(trifluoromethyl)thiophene-3-carbonitrile

5-(trifluoromethyl)thiophene-3-carbonitrile (PubChem CID 13398696) has the molecular formula C6H2F3NS and a molecular weight of 177.15 g/mol. Its IUPAC name is 5-(trifluoromethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-(trifluoromethyl)thiophene-3-carbonitrile
PubChem CID13398696
Molecular FormulaC6H2F3NS
Molecular Weight177.15 g/mol
Exact Mass176.99
IUPAC Name5-(trifluoromethyl)thiophene-3-carbonitrile
SMILESN#Cc1csc(C(F)(F)F)c1
InChIInChI=1S/C6H2F3NS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3H
InChIKeyOHMBUMZOVOFRPL-UHFFFAOYSA-N
XLogP2.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)thiophene-3-carbonitrile?
The IUPAC name of 5-(trifluoromethyl)thiophene-3-carbonitrile (CID 13398696) is 5-(trifluoromethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-(trifluoromethyl)thiophene-3-carbonitrile?
The canonical SMILES for 5-(trifluoromethyl)thiophene-3-carbonitrile is N#Cc1csc(C(F)(F)F)c1.
What is the InChIKey of 5-(trifluoromethyl)thiophene-3-carbonitrile?
The InChIKey is OHMBUMZOVOFRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3NS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3H.
What are the key properties of 5-(trifluoromethyl)thiophene-3-carbonitrile?
5-(trifluoromethyl)thiophene-3-carbonitrile has a molecular weight of 177.15 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 13398696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).