N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide

C9H11F2NO2S — CID 104858033

IUPACN-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H11F2NO2S/c1-6-2-15-3-7(6)8(14)12-4-9(10,11)5-13/h2-3,13H,4-5H2,1H3,(H,12,14)
InChIKeyUZWUHUZRDGWMJA-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.41
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide (PubChem CID 104858033) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide
PubChem CID104858033
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCC(F)(F)CO
InChIInChI=1S/C9H11F2NO2S/c1-6-2-15-3-7(6)8(14)12-4-9(10,11)5-13/h2-3,13H,4-5H2,1H3,(H,12,14)
InChIKeyUZWUHUZRDGWMJA-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.41
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)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide (CID 104858033) is N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide?
The InChIKey is UZWUHUZRDGWMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-6-2-15-3-7(6)8(14)12-4-9(10,11)5-13/h2-3,13H,4-5H2,1H3,(H,12,14).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-4-methylthiophene-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 1.41, 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)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 104858033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).