N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

C6H10F3NO2 — CID 175322797

IUPACN-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3-5(11)10(12)4-6(7,8)9/h12H,2-4H2,1H3
InChIKeyKYAYGQDMQNGHRB-UHFFFAOYSA-N
MW185.14 g/mol
LogP1.57
Rot. Bonds3

About N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide

N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 175322797) has the molecular formula C6H10F3NO2 and a molecular weight of 185.14 g/mol. Its IUPAC name is N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID175322797
Molecular FormulaC6H10F3NO2
Molecular Weight185.14 g/mol
Exact Mass185.07
IUPAC NameN-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(O)CC(F)(F)F
InChIInChI=1S/C6H10F3NO2/c1-2-3-5(11)10(12)4-6(7,8)9/h12H,2-4H2,1H3
InChIKeyKYAYGQDMQNGHRB-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-hydroxy-N-methylbutanamide
CID 71347328
2,2,2-trifluoro-N-isobutylacetohydroxamic acid
CID 129804035
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
N-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 60758521
N-ethyl-2,2-difluoro-N-hydroxypropanamide
CID 88626311
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
CID 90125054
N-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 130290994
N-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 130291222
N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 175322796
N-(2,2-difluoroethyl)-N-methylbutanamide
CID 115611582
2,2,2-trifluoro-N-methoxy-N-propylacetamide
CID 130512969
2,2,2-trifluoro-N-hydroxy-N-propylacetamide
CID 130901450

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide (CID 175322797) is N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is CCCC(=O)N(O)CC(F)(F)F.
What is the InChIKey of N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is KYAYGQDMQNGHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2/c1-2-3-5(11)10(12)4-6(7,8)9/h12H,2-4H2,1H3.
What are the key properties of N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide?
N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 185.14 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 175322797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).