2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile

C7H4F3NS — CID 21245495

IUPAC2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H4F3NS/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1H2
InChIKeyHFBYPYLJSKHXSN-UHFFFAOYSA-N
MW191.18 g/mol
LogP2.83
Rot. Bonds1

About 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile

2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile (PubChem CID 21245495) has the molecular formula C7H4F3NS and a molecular weight of 191.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile
PubChem CID21245495
Molecular FormulaC7H4F3NS
Molecular Weight191.18 g/mol
Exact Mass191.00
IUPAC Name2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile
SMILESN#CCc1cc(C(F)(F)F)cs1
InChIInChI=1S/C7H4F3NS/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1H2
InChIKeyHFBYPYLJSKHXSN-UHFFFAOYSA-N
XLogP2.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile?
The IUPAC name of 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile (CID 21245495) is 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile is N#CCc1cc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile?
The InChIKey is HFBYPYLJSKHXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NS/c8-7(9,10)5-3-6(1-2-11)12-4-5/h3-4H,1H2.
What are the key properties of 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile?
2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile has a molecular weight of 191.18 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)thiophen-2-yl]acetonitrile is sourced from PubChem (CID 21245495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).