(2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide

C12H21F4NO2 — CID 14594598

IUPAC(2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCCN(CC)C(=O)[C@](F)([C@H](O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H21F4NO2/c1-6-17(7-2)9(19)11(13,12(14,15)16)8(18)10(3,4)5/h8,18H,6-7H2,1-5H3/t8-,11-/m1/s1
InChIKeyGCHKNGUOTIHTGU-LDYMZIIASA-N
MW287.30 g/mol
LogP2.53
Rot. Bonds4

About (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide

(2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide (PubChem CID 14594598) has the molecular formula C12H21F4NO2 and a molecular weight of 287.30 g/mol. Its IUPAC name is (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name(2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide
PubChem CID14594598
Molecular FormulaC12H21F4NO2
Molecular Weight287.30 g/mol
Exact Mass287.15
IUPAC Name(2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide
SMILESCCN(CC)C(=O)[C@](F)([C@H](O)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C12H21F4NO2/c1-6-17(7-2)9(19)11(13,12(14,15)16)8(18)10(3,4)5/h8,18H,6-7H2,1-5H3/t8-,11-/m1/s1
InChIKeyGCHKNGUOTIHTGU-LDYMZIIASA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide
CID 14594592
(2R,3S)-2-fluoro-3-hydroxy-N-methoxy-N,4,4-trimethyl-2-(trifluoromethyl)pentanamide
CID 177482145
1-[(4S,5R)-5-fluoro-4-methoxy-3,3-dimethylpiperidin-1-yl]-3-hydroxypropan-1-one
CID 121246971
4,4,4-Trifluoro-1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 149718879
(3S)-3-hydroxy-N,N,4,4-tetramethylpentanamide
CID 13197451
(2S,3R)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055120
(2S,3S)-N,N-diethyl-3-hydroxy-2,4-dimethylpentanamide
CID 135055401
(3S,4S)-5,5,5-trifluoro-3-hydroxy-N,N,2,2,4-pentamethylpentanamide
CID 11579605
(3R,4S)-5,5,5-trifluoro-3-hydroxy-N,N,4-trimethylpentanamide
CID 11622599
2-Fluoro-3-hydroxy-4,4-dimethyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 13541850
2-Fluoro-3-hydroxy-4-methyl-1-(pyrrolidin-1-yl)pentan-1-one
CID 13541852
(2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-2-(trifluoromethyl)hexanamide
CID 14594593

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide?
The IUPAC name of (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide (CID 14594598) is (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide.
What is the SMILES notation for (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide?
The canonical SMILES for (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide is CCN(CC)C(=O)[C@](F)([C@H](O)C(C)(C)C)C(F)(F)F.
What is the InChIKey of (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide?
The InChIKey is GCHKNGUOTIHTGU-LDYMZIIASA-N. The full InChI is InChI=1S/C12H21F4NO2/c1-6-17(7-2)9(19)11(13,12(14,15)16)8(18)10(3,4)5/h8,18H,6-7H2,1-5H3/t8-,11-/m1/s1.
What are the key properties of (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide?
(2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide has a molecular weight of 287.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N,N-diethyl-2-fluoro-3-hydroxy-4,4-dimethyl-2-(trifluoromethyl)pentanamide is sourced from PubChem (CID 14594598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).