(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide

C15H28F3NO2 — CID 101153761

IUPAC(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide
SMILESCCCCN(CCCC)C(=O)[C@@H]([C@H](O)CCC)C(F)(F)F
InChIInChI=1S/C15H28F3NO2/c1-4-7-10-19(11-8-5-2)14(21)13(15(16,17)18)12(20)9-6-3/h12-13,20H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyOPAGLOHKSNBAJU-CHWSQXEVSA-N
MW311.39 g/mol
LogP3.75
Rot. Bonds10

About (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide

(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide (PubChem CID 101153761) has the molecular formula C15H28F3NO2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide.

Molecular Properties

Compound Name(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide
PubChem CID101153761
Molecular FormulaC15H28F3NO2
Molecular Weight311.39 g/mol
Exact Mass311.21
IUPAC Name(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide
SMILESCCCCN(CCCC)C(=O)[C@@H]([C@H](O)CCC)C(F)(F)F
InChIInChI=1S/C15H28F3NO2/c1-4-7-10-19(11-8-5-2)14(21)13(15(16,17)18)12(20)9-6-3/h12-13,20H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyOPAGLOHKSNBAJU-CHWSQXEVSA-N
XLogP3.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-(2,2,2-trifluoro-1-hydroxyethyl)azepan-2-one
CID 10727891
(4S)-N-ethyl-2,2-difluoro-3-hydroxy-4-methylheptanamide
CID 87104000
2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide
CID 88276429
1-(3-Acetyl-4-hydroxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 90951058
(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide
CID 118882617
(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide
CID 118882679
4,4,4-Trifluoro-3-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)butan-1-one
CID 118902089
4,4,4-Trifluoro-3-hydroxy-1-(4-methylpiperidin-1-yl)butan-1-one
CID 118906981
4-(2,2-Difluorocyclopropyl)-1-(2-ethylpiperidin-1-yl)-3-hydroxybutan-1-one
CID 177760248
(2S,3R)-3-hydroxy-N,N,2-trimethylhexanamide
CID 134939493
(2S,3R)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055120
(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055401

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide?
The IUPAC name of (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide (CID 101153761) is (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide.
What is the SMILES notation for (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide?
The canonical SMILES for (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide is CCCCN(CCCC)C(=O)[C@@H]([C@H](O)CCC)C(F)(F)F.
What is the InChIKey of (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide?
The InChIKey is OPAGLOHKSNBAJU-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H28F3NO2/c1-4-7-10-19(11-8-5-2)14(21)13(15(16,17)18)12(20)9-6-3/h12-13,20H,4-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide?
(2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide has a molecular weight of 311.39 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N-dibutyl-3-hydroxy-2-(trifluoromethyl)hexanamide is sourced from PubChem (CID 101153761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).