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

C8H9F2NO2S — CID 103769624

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

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

N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide (PubChem CID 103769624) has the molecular formula C8H9F2NO2S and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
PubChem CID103769624
Molecular FormulaC8H9F2NO2S
Molecular Weight221.23 g/mol
Exact Mass221.03
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide
SMILESO=C(NCC(O)C(F)F)c1ccsc1
InChIInChI=1S/C8H9F2NO2S/c9-7(10)6(12)3-11-8(13)5-1-2-14-4-5/h1-2,4,6-7,12H,3H2,(H,11,13)
InChIKeyHMFOHXRPASNGKO-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide (CID 103769624) is N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide is O=C(NCC(O)C(F)F)c1ccsc1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
The InChIKey is HMFOHXRPASNGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2S/c9-7(10)6(12)3-11-8(13)5-1-2-14-4-5/h1-2,4,6-7,12H,3H2,(H,11,13).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide has a molecular weight of 221.23 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)thiophene-3-carboxamide is sourced from PubChem (CID 103769624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).