hypochlorous acid;prop-2-enoyl fluoride

C3H4ClFO2 — CID 175192518

IUPAChypochlorous acid;prop-2-enoyl fluoride
SMILESC=CC(=O)F.OCl
InChIInChI=1S/C3H3FO.ClHO/c1-2-3(4)5;1-2/h2H,1H2;2H
InChIKeyWUPZDEOYUTVFQE-UHFFFAOYSA-N
MW126.51 g/mol
LogP0.80
Rot. Bonds1

About hypochlorous acid;prop-2-enoyl fluoride

hypochlorous acid;prop-2-enoyl fluoride (PubChem CID 175192518) has the molecular formula C3H4ClFO2 and a molecular weight of 126.51 g/mol. Its IUPAC name is hypochlorous acid;prop-2-enoyl fluoride.

Molecular Properties

Compound Namehypochlorous acid;prop-2-enoyl fluoride
PubChem CID175192518
Molecular FormulaC3H4ClFO2
Molecular Weight126.51 g/mol
Exact Mass125.99
IUPAC Namehypochlorous acid;prop-2-enoyl fluoride
SMILESC=CC(=O)F.OCl
InChIInChI=1S/C3H3FO.ClHO/c1-2-3(4)5;1-2/h2H,1H2;2H
InChIKeyWUPZDEOYUTVFQE-UHFFFAOYSA-N
XLogP0.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.51
LogP ≤ 50.80
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'}

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Related Compounds

azane;prop-2-enoyl fluoride
CID 175429328
prop-2-enoyl chloride
CID 23168843
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
carbonochloridic acid;prop-2-enoic acid
CID 159375670
dichloromethane;prop-2-enoyl chloride
CID 146265417
(3Z)-3,4-difluoro-2-methylidenehexa-3,5-dienoyl chloride
CID 142993979
acetic acid;2-chlorobuta-1,3-diene
CID 87071838
2-fluorobuta-1,3-diene
CID 551655
(2Z,4Z)-3,5-dichloro-2-ethenyl-4-fluorohexa-2,4-dienoic acid
CID 143014667
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

Frequently Asked Questions

What is the IUPAC name of hypochlorous acid;prop-2-enoyl fluoride?
The IUPAC name of hypochlorous acid;prop-2-enoyl fluoride (CID 175192518) is hypochlorous acid;prop-2-enoyl fluoride.
What is the SMILES notation for hypochlorous acid;prop-2-enoyl fluoride?
The canonical SMILES for hypochlorous acid;prop-2-enoyl fluoride is C=CC(=O)F.OCl.
What is the InChIKey of hypochlorous acid;prop-2-enoyl fluoride?
The InChIKey is WUPZDEOYUTVFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO.ClHO/c1-2-3(4)5;1-2/h2H,1H2;2H.
What are the key properties of hypochlorous acid;prop-2-enoyl fluoride?
hypochlorous acid;prop-2-enoyl fluoride has a molecular weight of 126.51 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hypochlorous acid;prop-2-enoyl fluoride is sourced from PubChem (CID 175192518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).