2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

C13H10ClFN2S — CID 54887515

IUPAC2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFN2S/c14-10-4-1-5-11(15)13(10)12(7-16)17-8-9-3-2-6-18-9/h1-6,12,17H,8H2
InChIKeyABWQVMSUCDXHEW-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.90
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile

2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (PubChem CID 54887515) has the molecular formula C13H10ClFN2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
PubChem CID54887515
Molecular FormulaC13H10ClFN2S
Molecular Weight280.75 g/mol
Exact Mass280.02
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
SMILESN#CC(NCc1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C13H10ClFN2S/c14-10-4-1-5-11(15)13(10)12(7-16)17-8-9-3-2-6-18-9/h1-6,12,17H,8H2
InChIKeyABWQVMSUCDXHEW-UHFFFAOYSA-N
XLogP3.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-methoxyphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 104816461
2-(3,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 106528833
2-(2,5-difluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887054
2-(2,6-dichlorophenyl)-2-(thiophen-2-ylmethylamino)ethanol
CID 61055196
2-(5-bromo-2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 54887098
ethyl 2-[[(2-chloro-6-fluorophenyl)-cyanomethyl]amino]acetate
CID 112500791
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146
1-(2-chloro-6-fluorophenyl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 115861153
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61006582
2-(2-ethylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 62415861
2-(4-tert-butylphenyl)-2-(thiophen-2-ylmethylamino)acetonitrile
CID 61005238
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(thiophen-2-ylmethylamino)acetonitrile
CID 115350886

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile (CID 54887515) is 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is N#CC(NCc1cccs1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
The InChIKey is ABWQVMSUCDXHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2S/c14-10-4-1-5-11(15)13(10)12(7-16)17-8-9-3-2-6-18-9/h1-6,12,17H,8H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile?
2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile has a molecular weight of 280.75 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetonitrile is sourced from PubChem (CID 54887515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).