2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

C14H8F3NS — CID 624307

IUPAC2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)12-5-3-10(4-6-12)8-11(9-18)13-2-1-7-19-13/h1-8H
InChIKeyPOSKBRFIYDHZFJ-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.83
Rot. Bonds2

About 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 624307) has the molecular formula C14H8F3NS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID624307
Molecular FormulaC14H8F3NS
Molecular Weight279.29 g/mol
Exact Mass279.03
IUPAC Name2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#CC(=Cc1ccc(C(F)(F)F)cc1)c1cccs1
InChIInChI=1S/C14H8F3NS/c15-14(16,17)12-5-3-10(4-6-12)8-11(9-18)13-2-1-7-19-13/h1-8H
InChIKeyPOSKBRFIYDHZFJ-UHFFFAOYSA-N
XLogP4.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 624307) is 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is N#CC(=Cc1ccc(C(F)(F)F)cc1)c1cccs1.
What is the InChIKey of 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is POSKBRFIYDHZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS/c15-14(16,17)12-5-3-10(4-6-12)8-11(9-18)13-2-1-7-19-13/h1-8H.
What are the key properties of 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile?
2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 279.29 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 624307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).