N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride

C4H8FN3O2 — CID 139470019

IUPACN-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride
SMILESCC(NC(=O)F)C(=O)NN
InChIInChI=1S/C4H8FN3O2/c1-2(3(9)8-6)7-4(5)10/h2H,6H2,1H3,(H,7,10)(H,8,9)
InChIKeyGLMVOXIOAQMBNI-UHFFFAOYSA-N
MW149.12 g/mol
LogP-0.96
Rot. Bonds2

About N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride

N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride (PubChem CID 139470019) has the molecular formula C4H8FN3O2 and a molecular weight of 149.12 g/mol. Its IUPAC name is N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride.

Molecular Properties

Compound NameN-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride
PubChem CID139470019
Molecular FormulaC4H8FN3O2
Molecular Weight149.12 g/mol
Exact Mass149.06
IUPAC NameN-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride
SMILESCC(NC(=O)F)C(=O)NN
InChIInChI=1S/C4H8FN3O2/c1-2(3(9)8-6)7-4(5)10/h2H,6H2,1H3,(H,7,10)(H,8,9)
InChIKeyGLMVOXIOAQMBNI-UHFFFAOYSA-N
XLogP-0.96
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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 N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride?
The IUPAC name of N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride (CID 139470019) is N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride.
What is the SMILES notation for N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride?
The canonical SMILES for N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride is CC(NC(=O)F)C(=O)NN.
What is the InChIKey of N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride?
The InChIKey is GLMVOXIOAQMBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FN3O2/c1-2(3(9)8-6)7-4(5)10/h2H,6H2,1H3,(H,7,10)(H,8,9).
What are the key properties of N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride?
N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride has a molecular weight of 149.12 g/mol, XLogP of -0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydrazinyl-1-oxopropan-2-yl)carbamoyl fluoride is sourced from PubChem (CID 139470019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).