N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide

C10H18F3NO2 — CID 156694095

IUPACN-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
SMILESCCC(C)(CC)[C@@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-9(3,5-2)7(6-15)14-8(16)10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyGAQUEIQEUSLDJE-SSDOTTSWSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds5

About N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide

N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 156694095) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID156694095
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
SMILESCCC(C)(CC)[C@@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-4-9(3,5-2)7(6-15)14-8(16)10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16)/t7-/m1/s1
InChIKeyGAQUEIQEUSLDJE-SSDOTTSWSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-hydroxy-4-methylpentyl)]acetamide
CID 25759525
CID 53833043
CID 53833043
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
3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide
CID 59083593
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
2,2,2-trifluoro-N-(1-hydroxypentan-2-yl)acetamide
CID 124004686
2,2,2-trifluoro-N-(1-hydroxy-3,3-dimethylbutan-2-yl)acetamide
CID 131168453
2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide
CID 138482682

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide (CID 156694095) is N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide is CCC(C)(CC)[C@@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is GAQUEIQEUSLDJE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-4-9(3,5-2)7(6-15)14-8(16)10(11,12)13/h7,15H,4-6H2,1-3H3,(H,14,16)/t7-/m1/s1.
What are the key properties of N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide?
N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 241.25 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-ethyl-1-hydroxy-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156694095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).