2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

C13H10F2N2S — CID 106528833

IUPAC2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H10F2N2S/c14-10-4-9(5-11(15)6-10)13(7-16)17-8-12-2-1-3-18-12/h1-6,13,17H,8H2
InChIKeyLFLJHZYUXSEBOA-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.38
Rot. Bonds4

About 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 106528833) has the molecular formula C13H10F2N2S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID106528833
Molecular FormulaC13H10F2N2S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1cc(F)cc(F)c1
InChIInChI=1S/C13H10F2N2S/c14-10-4-9(5-11(15)6-10)13(7-16)17-8-12-2-1-3-18-12/h1-6,13,17H,8H2
InChIKeyLFLJHZYUXSEBOA-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

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Related Compounds

2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
CID 115350886
2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887054
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887098
2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887515
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
2-(1-methyl-2,3-dihydroindol-5-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62095168
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
2-(1-phenylpyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005442
1-(5-fluoro-3-pyridinyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 115706736
1-(3,5-difluorophenyl)-2-thiophen-2-ylethanol
CID 62608803

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 106528833) is 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is N#CC(NCc1cccs1)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is LFLJHZYUXSEBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2S/c14-10-4-9(5-11(15)6-10)13(7-16)17-8-12-2-1-3-18-12/h1-6,13,17H,8H2.
What are the key properties of 2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(3,5-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-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 106528833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).