1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone

C8H8F3NOS — CID 131330820

IUPAC1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone
SMILESCC(=O)c1cc(CC(F)(F)F)sc1N
InChIInChI=1S/C8H8F3NOS/c1-4(13)6-2-5(14-7(6)12)3-8(9,10)11/h2H,3,12H2,1H3
InChIKeyPMBIWPVCMOTBBP-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.64
Rot. Bonds2

About 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone

1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone (PubChem CID 131330820) has the molecular formula C8H8F3NOS and a molecular weight of 223.22 g/mol. Its IUPAC name is 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone
PubChem CID131330820
Molecular FormulaC8H8F3NOS
Molecular Weight223.22 g/mol
Exact Mass223.03
IUPAC Name1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone
SMILESCC(=O)c1cc(CC(F)(F)F)sc1N
InChIInChI=1S/C8H8F3NOS/c1-4(13)6-2-5(14-7(6)12)3-8(9,10)11/h2H,3,12H2,1H3
InChIKeyPMBIWPVCMOTBBP-UHFFFAOYSA-N
XLogP2.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

PD 81723
CID 122028
(2-Amino-5-ethylthiophen-3-yl)-phenylmethanone
CID 827127
(2-Amino-4,5-dimethylthiophen-3-yl)(phenyl)methanone
CID 615540
(2-Aminothiophen-3-yl)(phenyl)methanone
CID 644720
(2-Amino-5-methyl-3-thiophenyl)-thiophen-2-ylmethanone
CID 644818
(2-Amino-5-phenyl-thiophen-3-yl)-phenyl-methanone
CID 28325476
5-Methyl-3-(4-methylbenzoyl)thiophen-2-amine
CID 859630
2-Amino-3-benzoyl-5-methylthiophen
CID 859621
3-(4-Methylbenzoyl)thiophen-2-amine
CID 859626
4,5-Dimethyl-3-(4-methylbenzoyl)thiophen-2-amine
CID 855906
(2-Amino-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 54581558
[2-Amino-5-methyl-4-[3-(trifluoromethyl)phenyl]thiophen-3-yl]-phenylmethanone
CID 56964801

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone?
The IUPAC name of 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone (CID 131330820) is 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone?
The canonical SMILES for 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone is CC(=O)c1cc(CC(F)(F)F)sc1N.
What is the InChIKey of 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone?
The InChIKey is PMBIWPVCMOTBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NOS/c1-4(13)6-2-5(14-7(6)12)3-8(9,10)11/h2H,3,12H2,1H3.
What are the key properties of 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone?
1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone has a molecular weight of 223.22 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(2,2,2-trifluoroethyl)thiophen-3-yl]ethanone is sourced from PubChem (CID 131330820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).