N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

C7H13F2NO2 — CID 107482430

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-7(12)10(3-4-11)5-6(8)9/h6,11H,2-5H2,1H3
InChIKeySTXRWIQIHUDKDG-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.48
Rot. Bonds5

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 107482430) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
PubChem CID107482430
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide
SMILESCCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-7(12)10(3-4-11)5-6(8)9/h6,11H,2-5H2,1H3
InChIKeySTXRWIQIHUDKDG-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide (CID 107482430) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is CCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is STXRWIQIHUDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-2-7(12)10(3-4-11)5-6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 181.18 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 107482430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).