4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide

C9H16F3NO3 — CID 79204052

IUPAC4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(O)CCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(15)2-3-8(16)13(4-5-14)6-9(10,11)12/h7,14-15H,2-6H2,1H3
InChIKeyGYBACTVORHQDOW-UHFFFAOYSA-N
MW243.22 g/mol
LogP0.53
Rot. Bonds6

About 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide

4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 79204052) has the molecular formula C9H16F3NO3 and a molecular weight of 243.22 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID79204052
Molecular FormulaC9H16F3NO3
Molecular Weight243.22 g/mol
Exact Mass243.11
IUPAC Name4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(O)CCC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H16F3NO3/c1-7(15)2-3-8(16)13(4-5-14)6-9(10,11)12/h7,14-15H,2-6H2,1H3
InChIKeyGYBACTVORHQDOW-UHFFFAOYSA-N
XLogP0.53
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diisopropyl-4-hydroxypentanamide
CID 11206451
3,3-difluoro-1-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]butan-1-one
CID 126790798
2-Hydroxyethyl-dimethyl-(5,5,5-trifluoropentanoyl)azanium
CID 17914030
1-[3-(Difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 126716199
1-[(3R,5S)-3-(difluoromethyl)-5-hydroxypiperidin-1-yl]pentan-1-one
CID 139513592
N,N-dibutyl-5-(dibutylamino)-4-hydroxypentanamide
CID 3049996
N,N-dibutyl-5-(dipropylamino)-4-hydroxypentanamide
CID 3049998
3,3,3-Trifluoro-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43417267
4,4,4-Trifluoro-1-(3-hydroxypiperidin-1-yl)butan-1-one
CID 65710964
4,4,4-trifluoro-N-(2-hydroxypropyl)-N-methylbutanamide
CID 65711170
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79192046
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)butanamide
CID 79192115

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 79204052) is 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide is CC(O)CCC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is GYBACTVORHQDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3/c1-7(15)2-3-8(16)13(4-5-14)6-9(10,11)12/h7,14-15H,2-6H2,1H3.
What are the key properties of 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide?
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 243.22 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 79204052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).