N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide

C12H21F2NO3 — CID 107482412

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)N(CCO)CC(F)F
InChIInChI=1S/C12H21F2NO3/c13-11(14)9-15(6-7-16)12(17)5-4-10-3-1-2-8-18-10/h10-11,16H,1-9H2
InChIKeyIICMTTLTEVDMTK-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.42
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide (PubChem CID 107482412) has the molecular formula C12H21F2NO3 and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide
PubChem CID107482412
Molecular FormulaC12H21F2NO3
Molecular Weight265.30 g/mol
Exact Mass265.15
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)N(CCO)CC(F)F
InChIInChI=1S/C12H21F2NO3/c13-11(14)9-15(6-7-16)12(17)5-4-10-3-1-2-8-18-10/h10-11,16H,1-9H2
InChIKeyIICMTTLTEVDMTK-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide (CID 107482412) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide?
The InChIKey is IICMTTLTEVDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO3/c13-11(14)9-15(6-7-16)12(17)5-4-10-3-1-2-8-18-10/h10-11,16H,1-9H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(oxan-2-yl)propanamide has a molecular weight of 265.30 g/mol, XLogP of 1.42, 7 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)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 107482412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).