N'-hydroxybutanediamide;hydrofluoride

C4H9FN2O3 — CID 174508828

IUPACN'-hydroxybutanediamide;hydrofluoride
SMILESF.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.FH/c5-3(7)1-2-4(8)6-9;/h9H,1-2H2,(H2,5,7)(H,6,8);1H
InChIKeyLDDLMAXIDCTAGE-UHFFFAOYSA-N
MW152.12 g/mol
LogP-1.09
Rot. Bonds3

About N'-hydroxybutanediamide;hydrofluoride

N'-hydroxybutanediamide;hydrofluoride (PubChem CID 174508828) has the molecular formula C4H9FN2O3 and a molecular weight of 152.12 g/mol. Its IUPAC name is N'-hydroxybutanediamide;hydrofluoride.

Molecular Properties

Compound NameN'-hydroxybutanediamide;hydrofluoride
PubChem CID174508828
Molecular FormulaC4H9FN2O3
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC NameN'-hydroxybutanediamide;hydrofluoride
SMILESF.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.FH/c5-3(7)1-2-4(8)6-9;/h9H,1-2H2,(H2,5,7)(H,6,8);1H
InChIKeyLDDLMAXIDCTAGE-UHFFFAOYSA-N
XLogP-1.09
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

ethanethioic S-acid;N'-hydroxybutanediamide
CID 174445258
chloroethane;N'-hydroxybutanediamide
CID 174689229
2,3-dihydroxybutanedioic acid;N'-hydroxybutanediamide
CID 174878339
butan-1-ol;N'-hydroxybutanediamide
CID 174644880
ethane;N'-hydroxyoctanediamide
CID 144754010
CID 87661495
CID 87661495
2-(2,5-dioxopyrrol-1-yl)acetic acid;N'-hydroxybutanediamide
CID 175240210
butanediamide;hydrobromide
CID 158484059
butanediamide;molybdenum
CID 161333962
3-(2-amino-2-oxoethyl)sulfanyl-N-hydroxypropanamide
CID 22287106
[(4-amino-4-oxobutanoyl)amino]carbamic acid
CID 57117108
bis(butanediamide);sulfur dioxide
CID 175182532

Frequently Asked Questions

What is the IUPAC name of N'-hydroxybutanediamide;hydrofluoride?
The IUPAC name of N'-hydroxybutanediamide;hydrofluoride (CID 174508828) is N'-hydroxybutanediamide;hydrofluoride.
What is the SMILES notation for N'-hydroxybutanediamide;hydrofluoride?
The canonical SMILES for N'-hydroxybutanediamide;hydrofluoride is F.NC(=O)CCC(=O)NO.
What is the InChIKey of N'-hydroxybutanediamide;hydrofluoride?
The InChIKey is LDDLMAXIDCTAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.FH/c5-3(7)1-2-4(8)6-9;/h9H,1-2H2,(H2,5,7)(H,6,8);1H.
What are the key properties of N'-hydroxybutanediamide;hydrofluoride?
N'-hydroxybutanediamide;hydrofluoride has a molecular weight of 152.12 g/mol, XLogP of -1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybutanediamide;hydrofluoride is sourced from PubChem (CID 174508828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).