2-amino-2-(2-fluorothiophen-3-yl)acetonitrile

C6H5FN2S — CID 139712612

IUPAC2-amino-2-(2-fluorothiophen-3-yl)acetonitrile
SMILESN#CC(N)c1ccsc1F
InChIInChI=1S/C6H5FN2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,5H,9H2
InChIKeyWVTNUTZFBGBYEG-UHFFFAOYSA-N
MW156.19 g/mol
LogP1.41
Rot. Bonds1

About 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile

2-amino-2-(2-fluorothiophen-3-yl)acetonitrile (PubChem CID 139712612) has the molecular formula C6H5FN2S and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(2-fluorothiophen-3-yl)acetonitrile
PubChem CID139712612
Molecular FormulaC6H5FN2S
Molecular Weight156.19 g/mol
Exact Mass156.02
IUPAC Name2-amino-2-(2-fluorothiophen-3-yl)acetonitrile
SMILESN#CC(N)c1ccsc1F
InChIInChI=1S/C6H5FN2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,5H,9H2
InChIKeyWVTNUTZFBGBYEG-UHFFFAOYSA-N
XLogP1.41
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Thiophen-3-yl)ethan-1-amine
CID 14249915
(1R)-1-(thiophen-3-yl)ethan-1-amine hydrochloride
CID 154575277
2-(Thiophen-3-yl)-ethane-1,2-diamine
CID 43519541
(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 88872336
2-Amino-2-(3-fluorothiophen-2-yl)acetonitrile
CID 131588205
2-Amino-2-(4-fluorothiophen-2-yl)acetonitrile
CID 139712585
2-Amino-2-(4-fluorothiophen-3-yl)acetonitrile
CID 139712604
2-Amino-2-(5-fluorothiophen-3-yl)acetonitrile
CID 139712683
3-(Thiophen-3-yl)-propane-1,3-diamine
CID 129759736
N-(2,2,2-trifluoro-1-thiophen-3-ylethyl)hydroxylamine
CID 15110170
2,2,2-Trifluoro-1-(thiophen-3-yl)ethanamine
CID 46785673
(R)-2,2,2-Trifluoro-1-(thiophen-3-yl)ethan-1-amine
CID 55277068

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile?
The IUPAC name of 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile (CID 139712612) is 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile.
What is the SMILES notation for 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile?
The canonical SMILES for 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile is N#CC(N)c1ccsc1F.
What is the InChIKey of 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile?
The InChIKey is WVTNUTZFBGBYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2S/c7-6-4(1-2-10-6)5(9)3-8/h1-2,5H,9H2.
What are the key properties of 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile?
2-amino-2-(2-fluorothiophen-3-yl)acetonitrile has a molecular weight of 156.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-fluorothiophen-3-yl)acetonitrile is sourced from PubChem (CID 139712612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).