N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide

C8H9F2NO2S — CID 104857950

IUPACN-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccsc1
InChIInChI=1S/C8H9F2NO2S/c9-8(10,5-12)4-11-7(13)6-1-2-14-3-6/h1-3,12H,4-5H2,(H,11,13)
InChIKeyQOVMSAZWORSJFE-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.11
Rot. Bonds4

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

N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 104857950) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide
PubChem CID104857950
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(F)(F)CO)c1ccsc1
InChIInChI=1S/C8H9F2NO2S/c9-8(10,5-12)4-11-7(13)6-1-2-14-3-6/h1-3,12H,4-5H2,(H,11,13)
InChIKeyQOVMSAZWORSJFE-UHFFFAOYSA-N
XLogP1.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide (CID 104857950) is N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide is O=C(NCC(F)(F)CO)c1ccsc1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is QOVMSAZWORSJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c9-8(10,5-12)4-11-7(13)6-1-2-14-3-6/h1-3,12H,4-5H2,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 221.23 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 104857950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).