3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide

C11H20F3NO2 — CID 59083593

IUPAC3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide
SMILESCCC[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H](C)O
InChIInChI=1S/C11H20F3NO2/c1-5-6-8(7(2)16)15-9(17)10(3,4)11(12,13)14/h7-8,16H,5-6H2,1-4H3,(H,15,17)/t7-,8+/m0/s1
InChIKeyRYABBOKDNWEKSX-JGVFFNPUSA-N
MW255.28 g/mol
LogP2.24
Rot. Bonds5

About 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide

3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide (PubChem CID 59083593) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide
PubChem CID59083593
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide
SMILESCCC[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H](C)O
InChIInChI=1S/C11H20F3NO2/c1-5-6-8(7(2)16)15-9(17)10(3,4)11(12,13)14/h7-8,16H,5-6H2,1-4H3,(H,15,17)/t7-,8+/m0/s1
InChIKeyRYABBOKDNWEKSX-JGVFFNPUSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(2r)-1-hydroxy-hexan-2-yl]-acetamide
CID 129774023
2,2,2-trifluoro-N-[(2s,3s)-1-hydroxy-3-methylpentan-2-yl]-acetamide
CID 129774022
N-(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)acetamide
CID 21743803
N-(1,1,1-trifluoro-2-hydroxypentan-3-yl)acetamide
CID 22405555
3,3,3-trifluoro-N-[(2R,3S)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide
CID 59083600
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
2,2-difluoro-N-(1-fluoro-3-hydroxyoctan-2-yl)acetamide
CID 88761108
N-(1,4-dihydroxypentan-2-yl)-2,2,2-trifluoroacetamide
CID 123267888
2,2,2-trifluoro-N-(1-hydroxypentan-2-yl)acetamide
CID 124004686
2,2,2-trifluoro-N-[(2S)-1-hydroxyheptan-2-yl]acetamide
CID 124164389

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide (CID 59083593) is 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide is CCC[C@@H](NC(=O)C(C)(C)C(F)(F)F)[C@H](C)O.
What is the InChIKey of 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide?
The InChIKey is RYABBOKDNWEKSX-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-5-6-8(7(2)16)15-9(17)10(3,4)11(12,13)14/h7-8,16H,5-6H2,1-4H3,(H,15,17)/t7-,8+/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide?
3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide has a molecular weight of 255.28 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 59083593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).