3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile

C7H5F3N2S — CID 130000626

IUPAC3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile
SMILESN#Cc1sccc1C(N)C(F)(F)F
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)6(12)4-1-2-13-5(4)3-11/h1-2,6H,12H2
InChIKeyBEVRRRFTLBWDFF-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.18
Rot. Bonds1

About 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile

3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile (PubChem CID 130000626) has the molecular formula C7H5F3N2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile
PubChem CID130000626
Molecular FormulaC7H5F3N2S
Molecular Weight206.19 g/mol
Exact Mass206.01
IUPAC Name3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile
SMILESN#Cc1sccc1C(N)C(F)(F)F
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)6(12)4-1-2-13-5(4)3-11/h1-2,6H,12H2
InChIKeyBEVRRRFTLBWDFF-UHFFFAOYSA-N
XLogP2.18
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine
CID 130985332
(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 130648455
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methylbenzonitrile
CID 66510993
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzonitrile;hydrochloride
CID 162309012
(3S)-3-amino-3-[2-(trifluoromethyl)thiophen-3-yl]propanenitrile
CID 130631805
3-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-(dimethylamino)-2-fluorobenzonitrile
CID 66511897
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
2-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273211
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
3-(3,4-diaminophenyl)thiophene-2-carbonitrile
CID 154098369

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile?
The IUPAC name of 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile (CID 130000626) is 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile is N#Cc1sccc1C(N)C(F)(F)F.
What is the InChIKey of 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile?
The InChIKey is BEVRRRFTLBWDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2S/c8-7(9,10)6(12)4-1-2-13-5(4)3-11/h1-2,6H,12H2.
What are the key properties of 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile?
3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile has a molecular weight of 206.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile is sourced from PubChem (CID 130000626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).