2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride

C9H17ClF3NO2 — CID 145361394

IUPAC2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride
SMILESCC(C)CCC(O)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C9H16F3NO2.ClH/c1-6(2)3-4-7(14)8(15)13-5-9(10,11)12;/h6-7,14H,3-5H2,1-2H3,(H,13,15);1H
InChIKeySWUZZHFVLCHJGW-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.88
Rot. Bonds5

About 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride

2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride (PubChem CID 145361394) has the molecular formula C9H17ClF3NO2 and a molecular weight of 263.69 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride
PubChem CID145361394
Molecular FormulaC9H17ClF3NO2
Molecular Weight263.69 g/mol
Exact Mass263.09
IUPAC Name2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride
SMILESCC(C)CCC(O)C(=O)NCC(F)(F)F.Cl
InChIInChI=1S/C9H16F3NO2.ClH/c1-6(2)3-4-7(14)8(15)13-5-9(10,11)12;/h6-7,14H,3-5H2,1-2H3,(H,13,15);1H
InChIKeySWUZZHFVLCHJGW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-2-hydroxy-5-methyl-hexanoic acid (3-methyl-butyl)-amide
CID 44360285
2-methyl-N-[(2S)-4,4,4-trifluoro-1-hydroxybutan-2-yl]pentanamide
CID 161726386
2,2-difluoro-6-[(2-hydroxy-4-methylpentanoyl)amino]-N,4-dimethylhexanamide
CID 170108108
(2S)-5-fluoro-2-hydroxy-N-(2-methylpropyl)pentanamide
CID 102300947
3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103524805
N-(3,3-difluoro-2-hydroxypropyl)-3-methylpentanamide
CID 103525097
N-(3-ethyl-2-hydroxypentyl)-4,4,4-trifluorobutanamide
CID 103710751
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103723055
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103723057
2-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)hexanamide
CID 103730665
N-(3,3-difluoro-2-hydroxypropyl)-4-methylpentanamide
CID 103769621
N-(3,3-difluoro-2-hydroxypropyl)-2-methylpentanamide
CID 103769824

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride?
The IUPAC name of 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride (CID 145361394) is 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride?
The canonical SMILES for 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride is CC(C)CCC(O)C(=O)NCC(F)(F)F.Cl.
What is the InChIKey of 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride?
The InChIKey is SWUZZHFVLCHJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2.ClH/c1-6(2)3-4-7(14)8(15)13-5-9(10,11)12;/h6-7,14H,3-5H2,1-2H3,(H,13,15);1H.
What are the key properties of 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride?
2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride has a molecular weight of 263.69 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-(2,2,2-trifluoroethyl)hexanamide;hydrochloride is sourced from PubChem (CID 145361394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).