azane;prop-2-enoyl fluoride

C3H6FNO — CID 175429328

IUPACazane;prop-2-enoyl fluoride
SMILESC=CC(=O)F.N
InChIInChI=1S/C3H3FO.H3N/c1-2-3(4)5;/h2H,1H2;1H3
InChIKeyLZNYLIZSFSTLMD-UHFFFAOYSA-N
MW91.08 g/mol
LogP0.83
Rot. Bonds1

About azane;prop-2-enoyl fluoride

azane;prop-2-enoyl fluoride (PubChem CID 175429328) has the molecular formula C3H6FNO and a molecular weight of 91.08 g/mol. Its IUPAC name is azane;prop-2-enoyl fluoride.

Molecular Properties

Compound Nameazane;prop-2-enoyl fluoride
PubChem CID175429328
Molecular FormulaC3H6FNO
Molecular Weight91.08 g/mol
Exact Mass91.04
IUPAC Nameazane;prop-2-enoyl fluoride
SMILESC=CC(=O)F.N
InChIInChI=1S/C3H3FO.H3N/c1-2-3(4)5;/h2H,1H2;1H3
InChIKeyLZNYLIZSFSTLMD-UHFFFAOYSA-N
XLogP0.83
TPSA52.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.08
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze azane;prop-2-enoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
azane;prop-2-enoic acid
CID 173158019
azane;2-methylidenebut-3-enoic acid
CID 88748987
2-fluorobuta-1,3-diene
CID 551655
penta-2,3,4-trienoyl fluoride
CID 139658986
prop-2-enoic acid azide
CID 161451795
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
methane;penta-1,4-dien-3-one
CID 174748125
bis(prop-2-enoic acid);hydrochloride
CID 88811054
CID 87061462
CID 87061462
iron(2+);prop-2-enoic acid
CID 10290804

Frequently Asked Questions

What is the IUPAC name of azane;prop-2-enoyl fluoride?
The IUPAC name of azane;prop-2-enoyl fluoride (CID 175429328) is azane;prop-2-enoyl fluoride.
What is the SMILES notation for azane;prop-2-enoyl fluoride?
The canonical SMILES for azane;prop-2-enoyl fluoride is C=CC(=O)F.N.
What is the InChIKey of azane;prop-2-enoyl fluoride?
The InChIKey is LZNYLIZSFSTLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO.H3N/c1-2-3(4)5;/h2H,1H2;1H3.
What are the key properties of azane;prop-2-enoyl fluoride?
azane;prop-2-enoyl fluoride has a molecular weight of 91.08 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;prop-2-enoyl fluoride is sourced from PubChem (CID 175429328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).