2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile

C10H11F3N2S — CID 62345929

IUPAC2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESCCc1ccc(C(C#N)NCC(F)(F)F)s1
InChIInChI=1S/C10H11F3N2S/c1-2-7-3-4-9(16-7)8(5-14)15-6-10(11,12)13/h3-4,8,15H,2,6H2,1H3
InChIKeyHVCDDLIPLZVOEX-UHFFFAOYSA-N
MW248.27 g/mol
LogP3.03
Rot. Bonds4

About 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile

2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile (PubChem CID 62345929) has the molecular formula C10H11F3N2S and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
PubChem CID62345929
Molecular FormulaC10H11F3N2S
Molecular Weight248.27 g/mol
Exact Mass248.06
IUPAC Name2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile
SMILESCCc1ccc(C(C#N)NCC(F)(F)F)s1
InChIInChI=1S/C10H11F3N2S/c1-2-7-3-4-9(16-7)8(5-14)15-6-10(11,12)13/h3-4,8,15H,2,6H2,1H3
InChIKeyHVCDDLIPLZVOEX-UHFFFAOYSA-N
XLogP3.03
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethylthiophen-2-yl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 55062169
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 55062413
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
2-(1-chloro-2,2,2-trifluoroethyl)-5-ethylthiophene
CID 61082727
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 54893055
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350
2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
N-ethyl-1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207286
N-[1-(5-ethylthiophen-2-yl)ethyl]-5,5,5-trifluoropentan-1-amine
CID 113327120
(3S)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 131198390
(3R)-3-amino-3-(5-ethylthiophen-2-yl)propanenitrile
CID 55277378
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-5-ethylthiophene
CID 103310684

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile (CID 62345929) is 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile is CCc1ccc(C(C#N)NCC(F)(F)F)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
The InChIKey is HVCDDLIPLZVOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2S/c1-2-7-3-4-9(16-7)8(5-14)15-6-10(11,12)13/h3-4,8,15H,2,6H2,1H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile?
2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile has a molecular weight of 248.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetonitrile is sourced from PubChem (CID 62345929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).