4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide

C8H7Br2F2NO2S — CID 104857132

IUPAC4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H7Br2F2NO2S/c9-4-1-5(16-6(4)10)7(15)13-2-8(11,12)3-14/h1,14H,2-3H2,(H,13,15)
InChIKeyJLQBWTRSVOPAES-UHFFFAOYSA-N
MW379.02 g/mol
LogP2.63
Rot. Bonds4

About 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide

4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide (PubChem CID 104857132) has the molecular formula C8H7Br2F2NO2S and a molecular weight of 379.02 g/mol. Its IUPAC name is 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
PubChem CID104857132
Molecular FormulaC8H7Br2F2NO2S
Molecular Weight379.02 g/mol
Exact Mass376.85
IUPAC Name4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide
SMILESO=C(NCC(F)(F)CO)c1cc(Br)c(Br)s1
InChIInChI=1S/C8H7Br2F2NO2S/c9-4-1-5(16-6(4)10)7(15)13-2-8(11,12)3-14/h1,14H,2-3H2,(H,13,15)
InChIKeyJLQBWTRSVOPAES-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.02
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide (CID 104857132) is 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide is O=C(NCC(F)(F)CO)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
The InChIKey is JLQBWTRSVOPAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F2NO2S/c9-4-1-5(16-6(4)10)7(15)13-2-8(11,12)3-14/h1,14H,2-3H2,(H,13,15).
What are the key properties of 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide?
4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide has a molecular weight of 379.02 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(2,2-difluoro-3-hydroxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 104857132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).