N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide

C9H11F2NO2S — CID 107482828

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(CCO)CC(F)F
InChIInChI=1S/C9H11F2NO2S/c10-8(11)5-12(2-3-13)9(14)7-1-4-15-6-7/h1,4,6,8,13H,2-3,5H2
InChIKeyAAYSJFBHVPBDEY-UHFFFAOYSA-N
MW235.25 g/mol
LogP1.45
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide (PubChem CID 107482828) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
PubChem CID107482828
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
SMILESO=C(c1ccsc1)N(CCO)CC(F)F
InChIInChI=1S/C9H11F2NO2S/c10-8(11)5-12(2-3-13)9(14)7-1-4-15-6-7/h1,4,6,8,13H,2-3,5H2
InChIKeyAAYSJFBHVPBDEY-UHFFFAOYSA-N
XLogP1.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tetrahydro-2H-pyran-4-yl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 71796134
Pyrrolidin-1-yl(thiophen-3-yl)methanone
CID 12926531
N,N-diethylthiophene-3-carboxamide
CID 11389776
Thiophen-3-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863283
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-N-methylthiophene-3-carboxamide
CID 136518250
2-[N-methyl-1-(thiophen-3-yl)formamido]-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 53620006
1,1,1-Trifluoro-2-methyl-3-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-2-ol
CID 121536197
N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 45497145
N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 49717002
thiophen-3-yl-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929050
thiophen-3-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929051
5-iodo-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 53599202

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide (CID 107482828) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide is O=C(c1ccsc1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
The InChIKey is AAYSJFBHVPBDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c10-8(11)5-12(2-3-13)9(14)7-1-4-15-6-7/h1,4,6,8,13H,2-3,5H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 107482828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).