2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide

C7H12F3NO2 — CID 138482682

IUPAC2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide
SMILESCCC[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-5(4-12)11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)/t5-/m1/s1
InChIKeyFDAKXYISFYGJKN-RXMQYKEDSA-N
MW199.17 g/mol
LogP0.83
Rot. Bonds4

About 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide

2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide (PubChem CID 138482682) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide
PubChem CID138482682
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide
SMILESCCC[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO2/c1-2-3-5(4-12)11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)/t5-/m1/s1
InChIKeyFDAKXYISFYGJKN-RXMQYKEDSA-N
XLogP0.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide (CID 138482682) is 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide is CCC[C@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide?
The InChIKey is FDAKXYISFYGJKN-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-2-3-5(4-12)11-6(13)7(8,9)10/h5,12H,2-4H2,1H3,(H,11,13)/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide has a molecular weight of 199.17 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(2R)-1-hydroxypentan-2-yl]acetamide is sourced from PubChem (CID 138482682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).