5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile

C12H6F3NS — CID 11097092

IUPAC5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C12H6F3NS/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-6H
InChIKeyWRMNGTLELUIDIX-UHFFFAOYSA-N
MW253.25 g/mol
LogP4.31
Rot. Bonds1

About 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile

5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile (PubChem CID 11097092) has the molecular formula C12H6F3NS and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
PubChem CID11097092
Molecular FormulaC12H6F3NS
Molecular Weight253.25 g/mol
Exact Mass253.02
IUPAC Name5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccccc2C(F)(F)F)s1
InChIInChI=1S/C12H6F3NS/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-6H
InChIKeyWRMNGTLELUIDIX-UHFFFAOYSA-N
XLogP4.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile?
The IUPAC name of 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile (CID 11097092) is 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile is N#Cc1ccc(-c2ccccc2C(F)(F)F)s1.
What is the InChIKey of 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile?
The InChIKey is WRMNGTLELUIDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3NS/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-6H.
What are the key properties of 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile?
5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile has a molecular weight of 253.25 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(trifluoromethyl)phenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 11097092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).