3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C9H9BrF3NOS — CID 60778498

IUPAC3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C9H9BrF3NOS/c1-2-14(5-9(11,12)13)8(15)7-6(10)3-4-16-7/h3-4H,2,5H2,1H3
InChIKeyPKRWZDADQWFEGR-UHFFFAOYSA-N
MW316.14 g/mol
LogP3.54
Rot. Bonds3

About 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 60778498) has the molecular formula C9H9BrF3NOS and a molecular weight of 316.14 g/mol. Its IUPAC name is 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID60778498
Molecular FormulaC9H9BrF3NOS
Molecular Weight316.14 g/mol
Exact Mass314.95
IUPAC Name3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCCN(CC(F)(F)F)C(=O)c1sccc1Br
InChIInChI=1S/C9H9BrF3NOS/c1-2-14(5-9(11,12)13)8(15)7-6(10)3-4-16-7/h3-4H,2,5H2,1H3
InChIKeyPKRWZDADQWFEGR-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3-Bromothiophen-2-yl)(morpholino)methanone
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Thiophene-2-carboxamide, N-ethyl-N-butyl-
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CID 962897
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CID 42905215
N-(2-acetamidoethyl)-3-bromothiophene-2-carboxamide
CID 47038926
(3-Bromothiophen-2-yl)(2-methylmorpholino)methanone
CID 47039165
1-[4-(3-Bromothiophene-2-carbonyl)piperazin-1-yl]ethanone
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CID 792123

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 60778498) is 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CCN(CC(F)(F)F)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is PKRWZDADQWFEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF3NOS/c1-2-14(5-9(11,12)13)8(15)7-6(10)3-4-16-7/h3-4H,2,5H2,1H3.
What are the key properties of 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 316.14 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 60778498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).