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

C12H20F3NO3 — CID 103915468

IUPACN-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCC1CCCCO1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-16(6-7-17)11(18)5-4-10-3-1-2-8-19-10/h10,17H,1-9H2
InChIKeyOADUXACWDSIFLK-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.72
Rot. Bonds6

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

N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 103915468) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID103915468
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCC1CCCCO1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-16(6-7-17)11(18)5-4-10-3-1-2-8-19-10/h10,17H,1-9H2
InChIKeyOADUXACWDSIFLK-UHFFFAOYSA-N
XLogP1.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide (CID 103915468) is N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCC1CCCCO1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is OADUXACWDSIFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)9-16(6-7-17)11(18)5-4-10-3-1-2-8-19-10/h10,17H,1-9H2.
What are the key properties of N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide?
N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-(oxan-2-yl)-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 103915468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).