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

C7H12F3NO2 — CID 57029241

IUPAC2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-5(12)6(13)11-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyYEPBFSCXSLJYAM-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.83
Rot. Bonds4

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

2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 57029241) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID57029241
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCCCC(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-5(12)6(13)11-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)
InChIKeyYEPBFSCXSLJYAM-UHFFFAOYSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 10942889
2-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 57208486
2-hydroxy-N-(2,2,2-trifluoroethyl)propanamide
CID 57278446
(3R,4R)-4-(1,1-difluoroethyl)-3-hydroxyazetidin-2-one
CID 57784953
2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide
CID 59087787
3-amino-N-cyclopropyl-5,5-difluoro-2-hydroxypentanamide
CID 59519616
4-(1,1-Difluoroethyl)-3-hydroxy-azetidin-2-one
CID 68940200
cis-4-(1,1-Difluoroethyl)-3-hydroxy-2-azetidinone
CID 68940202
N-cyclopropyl-3-(ethylamino)-5,5-difluoro-2-hydroxypentanamide
CID 70871182
(2S,3S)-3-Amino-2-hydroxy-N-(2,2,2-trifluoroethyl)hexanamide
CID 86762421
N-cyclopropyl-5,5-difluoro-2-hydroxy-3-(methylamino)pentanamide
CID 89671888
N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103726161

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 57029241) is 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is CCCC(O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is YEPBFSCXSLJYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-3-5(12)6(13)11-4-7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13).
What are the key properties of 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 199.17 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 57029241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).