2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile

C14H10F4N2S — CID 115350886

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F4N2S/c15-11-5-9(4-10(6-11)14(16,17)18)13(7-19)20-8-12-2-1-3-21-12/h1-6,13,20H,8H2
InChIKeyQXGSTCRDUATZOY-UHFFFAOYSA-N
MW314.31 g/mol
LogP4.26
Rot. Bonds4

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile

2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 115350886) has the molecular formula C14H10F4N2S and a molecular weight of 314.31 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID115350886
Molecular FormulaC14H10F4N2S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F4N2S/c15-11-5-9(4-10(6-11)14(16,17)18)13(7-19)20-8-12-2-1-3-21-12/h1-6,13,20H,8H2
InChIKeyQXGSTCRDUATZOY-UHFFFAOYSA-N
XLogP4.26
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887054
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887098
2-(6-methyl-3-pyridinyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104822436
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61006582
N-(thiophen-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43182177
2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887515
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
(R)-[3-fluoro-5-(trifluoromethyl)phenyl]-thiophen-2-ylmethanamine;hydrochloride
CID 171227008
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile (CID 115350886) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile is N#CC(NCc1cccs1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is QXGSTCRDUATZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4N2S/c15-11-5-9(4-10(6-11)14(16,17)18)13(7-19)20-8-12-2-1-3-21-12/h1-6,13,20H,8H2.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 314.31 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 115350886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).