(2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

C6H9ClF3NO2 — CID 126589644

IUPAC(2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](CCl)C(=O)N(O)CC(F)(F)F
InChIInChI=1S/C6H9ClF3NO2/c1-4(2-7)5(12)11(13)3-6(8,9)10/h4,13H,2-3H2,1H3/t4-/m1/s1
InChIKeyKVASPFMYZKYTAK-SCSAIBSYSA-N
MW219.59 g/mol
LogP1.64
Rot. Bonds3

About (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide

(2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 126589644) has the molecular formula C6H9ClF3NO2 and a molecular weight of 219.59 g/mol. Its IUPAC name is (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID126589644
Molecular FormulaC6H9ClF3NO2
Molecular Weight219.59 g/mol
Exact Mass219.03
IUPAC Name(2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](CCl)C(=O)N(O)CC(F)(F)F
InChIInChI=1S/C6H9ClF3NO2/c1-4(2-7)5(12)11(13)3-6(8,9)10/h4,13H,2-3H2,1H3/t4-/m1/s1
InChIKeyKVASPFMYZKYTAK-SCSAIBSYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 126589644) is (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](CCl)C(=O)N(O)CC(F)(F)F.
What is the InChIKey of (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is KVASPFMYZKYTAK-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H9ClF3NO2/c1-4(2-7)5(12)11(13)3-6(8,9)10/h4,13H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide?
(2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 219.59 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-chloro-N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 126589644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).