2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

C13H10F2N2S — CID 54887054

IUPAC2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2S/c14-9-3-4-12(15)11(6-9)13(7-16)17-8-10-2-1-5-18-10/h1-6,13,17H,8H2
InChIKeyMXQUJHFUCUSFPX-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.38
Rot. Bonds4

About 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 54887054) has the molecular formula C13H10F2N2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID54887054
Molecular FormulaC13H10F2N2S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cc(F)ccc1F
InChIInChI=1S/C13H10F2N2S/c14-9-3-4-12(15)11(6-9)13(7-16)17-8-10-2-1-5-18-10/h1-6,13,17H,8H2
InChIKeyMXQUJHFUCUSFPX-UHFFFAOYSA-N
XLogP3.38
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)-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-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887098
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
1-(2,5-difluorophenyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 65380159
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887515
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
CID 115350886
1-(2,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62802428
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
CID 54886867
2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 64509506
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetamide
CID 54891133

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 54887054) is 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is N#CC(NCc1cccs1)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is MXQUJHFUCUSFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2S/c14-9-3-4-12(15)11(6-9)13(7-16)17-8-10-2-1-5-18-10/h1-6,13,17H,8H2.
What are the key properties of 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 264.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 54887054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).