3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

C8H7BrF3NOS — CID 63801472

IUPAC3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C8H7BrF3NOS/c9-5-1-4-15-6(5)7(14)13-3-2-8(10,11)12/h1,4H,2-3H2,(H,13,14)
InChIKeyDBLIUBCYHWGJTF-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.19
Rot. Bonds3

About 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide

3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (PubChem CID 63801472) has the molecular formula C8H7BrF3NOS and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
PubChem CID63801472
Molecular FormulaC8H7BrF3NOS
Molecular Weight302.12 g/mol
Exact Mass300.94
IUPAC Name3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
SMILESO=C(NCCC(F)(F)F)c1sccc1Br
InChIInChI=1S/C8H7BrF3NOS/c9-5-1-4-15-6(5)7(14)13-3-2-8(10,11)12/h1,4H,2-3H2,(H,13,14)
InChIKeyDBLIUBCYHWGJTF-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(4,4,4-trifluorobutyl)thiophene-2-carboxamide
CID 79039212
3-bromo-N-propylthiophene-2-carboxamide
CID 58831720
3-bromo-N-(2-tert-butylsulfanylethyl)thiophene-2-carboxamide
CID 4985303
4-[2-[(3-bromothiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 62032969
3-(3-aminoprop-1-ynyl)-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide
CID 63799364
3-bromo-N-[3-oxo-3-(propylamino)propyl]thiophene-2-carboxamide
CID 47343371
4-[(3-bromothiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80538498
3-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 60778137
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162
3-bromo-N-(2-phenylsulfanylethyl)thiophene-2-carboxamide
CID 47219653
3-bromo-N-(4-chloropentyl)thiophene-2-carboxamide
CID 106129487
3-bromo-N-hydroxythiophene-2-carboxamide;hydrochloride
CID 88521756

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide (CID 63801472) is 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is O=C(NCCC(F)(F)F)c1sccc1Br.
What is the InChIKey of 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
The InChIKey is DBLIUBCYHWGJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NOS/c9-5-1-4-15-6(5)7(14)13-3-2-8(10,11)12/h1,4H,2-3H2,(H,13,14).
What are the key properties of 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide?
3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide has a molecular weight of 302.12 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3,3-trifluoropropyl)thiophene-2-carboxamide is sourced from PubChem (CID 63801472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).