1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone

C13H10F3NOS — CID 65354727

IUPAC1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)csc1N
InChIInChI=1S/C13H10F3NOS/c1-7(18)11-10(6-19-12(11)17)8-2-4-9(5-3-8)13(14,15)16/h2-6H,17H2,1H3
InChIKeyMFDPXHAKTNRDAS-UHFFFAOYSA-N
MW285.29 g/mol
LogP4.22
Rot. Bonds2

About 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone

1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone (PubChem CID 65354727) has the molecular formula C13H10F3NOS and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone
PubChem CID65354727
Molecular FormulaC13H10F3NOS
Molecular Weight285.29 g/mol
Exact Mass285.04
IUPAC Name1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1c(-c2ccc(C(F)(F)F)cc2)csc1N
InChIInChI=1S/C13H10F3NOS/c1-7(18)11-10(6-19-12(11)17)8-2-4-9(5-3-8)13(14,15)16/h2-6H,17H2,1H3
InChIKeyMFDPXHAKTNRDAS-UHFFFAOYSA-N
XLogP4.22
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N,N-dimethyl-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxamide
CID 43174821
[2-amino-4-[3,5-bis(trifluoromethyl)phenyl]thiophen-3-yl]-(3,4-dichlorophenyl)methanone
CID 70691104
2-amino-4-(4-fluorophenyl)-N-propylthiophene-3-carboxamide
CID 82056632
2-[(3-methylbenzoyl)amino]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 25226135
2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylic acid
CID 53443474
propyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
CID 3795665
ethyl 2-amino-4-(4-ethoxyphenyl)thiophene-3-carboxylate
CID 703945
1-[4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]ethanone
CID 102755531
[2-chloro-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]methanamine
CID 114748580
ethyl 2-amino-4-phenylthiophene-3-carboxylate;hydrochloride
CID 170911124
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
2-(1-benzothiophene-2-carbonylamino)-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 25227242

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone?
The IUPAC name of 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone (CID 65354727) is 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone?
The canonical SMILES for 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone is CC(=O)c1c(-c2ccc(C(F)(F)F)cc2)csc1N.
What is the InChIKey of 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone?
The InChIKey is MFDPXHAKTNRDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NOS/c1-7(18)11-10(6-19-12(11)17)8-2-4-9(5-3-8)13(14,15)16/h2-6H,17H2,1H3.
What are the key properties of 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone?
1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone has a molecular weight of 285.29 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-[4-(trifluoromethyl)phenyl]thiophen-3-yl]ethanone is sourced from PubChem (CID 65354727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).