5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide

C9H10BrF2NO2S — CID 107479988

IUPAC5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CCO)CC(F)F
InChIInChI=1S/C9H10BrF2NO2S/c10-7-2-1-6(16-7)9(15)13(3-4-14)5-8(11)12/h1-2,8,14H,3-5H2
InChIKeyQNSLOXJOXOCHDT-UHFFFAOYSA-N
MW314.15 g/mol
LogP2.21
Rot. Bonds5

About 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide

5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide (PubChem CID 107479988) has the molecular formula C9H10BrF2NO2S and a molecular weight of 314.15 g/mol. Its IUPAC name is 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide
PubChem CID107479988
Molecular FormulaC9H10BrF2NO2S
Molecular Weight314.15 g/mol
Exact Mass312.96
IUPAC Name5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide
SMILESO=C(c1ccc(Br)s1)N(CCO)CC(F)F
InChIInChI=1S/C9H10BrF2NO2S/c10-7-2-1-6(16-7)9(15)13(3-4-14)5-8(11)12/h1-2,8,14H,3-5H2
InChIKeyQNSLOXJOXOCHDT-UHFFFAOYSA-N
XLogP2.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide (CID 107479988) is 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide is O=C(c1ccc(Br)s1)N(CCO)CC(F)F.
What is the InChIKey of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide?
The InChIKey is QNSLOXJOXOCHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO2S/c10-7-2-1-6(16-7)9(15)13(3-4-14)5-8(11)12/h1-2,8,14H,3-5H2.
What are the key properties of 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide?
5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide has a molecular weight of 314.15 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-2-carboxamide is sourced from PubChem (CID 107479988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).