1-fluoro-3-hydroperoxyprop-1-ene

C3H5FO2 — CID 174702941

IUPAC1-fluoro-3-hydroperoxyprop-1-ene
SMILESOOCC=CF
InChIInChI=1S/C3H5FO2/c4-2-1-3-6-5/h1-2,5H,3H2
InChIKeyMMQGLWQGRMMQIF-UHFFFAOYSA-N
MW92.07 g/mol
LogP0.96
Rot. Bonds2

About 1-fluoro-3-hydroperoxyprop-1-ene

1-fluoro-3-hydroperoxyprop-1-ene (PubChem CID 174702941) has the molecular formula C3H5FO2 and a molecular weight of 92.07 g/mol. Its IUPAC name is 1-fluoro-3-hydroperoxyprop-1-ene.

Molecular Properties

Compound Name1-fluoro-3-hydroperoxyprop-1-ene
PubChem CID174702941
Molecular FormulaC3H5FO2
Molecular Weight92.07 g/mol
Exact Mass92.03
IUPAC Name1-fluoro-3-hydroperoxyprop-1-ene
SMILESOOCC=CF
InChIInChI=1S/C3H5FO2/c4-2-1-3-6-5/h1-2,5H,3H2
InChIKeyMMQGLWQGRMMQIF-UHFFFAOYSA-N
XLogP0.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-3-fluoroprop-2-enyl] 2-fluoroacetate
CID 155237485
4-hydroperoxybut-2-enoic acid
CID 54116733
3-fluoroprop-2-enyl 2-methylprop-2-enoate
CID 67041236
2-hydroperoxyacetaldehyde
CID 54491146
[(E)-3-hydroperoxyprop-1-enyl] acetate
CID 23268909
3-fluoroprop-2-enylsilane
CID 172996818
6-fluorohexa-2,5-dien-1-ol
CID 173259673
3-fluoroprop-2-ene-1-sulfinic acid
CID 91373158
4-fluorobut-3-enoxy-hydroxy-oxophosphanium
CID 174280949
5-fluoropent-4-enoic acid
CID 173120467
acetic acid;3-hydroperoxyprop-1-ene
CID 174162308
(Z)-1,4-dihydroperoxy-2-methylbut-2-ene
CID 18731330

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-hydroperoxyprop-1-ene?
The IUPAC name of 1-fluoro-3-hydroperoxyprop-1-ene (CID 174702941) is 1-fluoro-3-hydroperoxyprop-1-ene.
What is the SMILES notation for 1-fluoro-3-hydroperoxyprop-1-ene?
The canonical SMILES for 1-fluoro-3-hydroperoxyprop-1-ene is OOCC=CF.
What is the InChIKey of 1-fluoro-3-hydroperoxyprop-1-ene?
The InChIKey is MMQGLWQGRMMQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO2/c4-2-1-3-6-5/h1-2,5H,3H2.
What are the key properties of 1-fluoro-3-hydroperoxyprop-1-ene?
1-fluoro-3-hydroperoxyprop-1-ene has a molecular weight of 92.07 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-hydroperoxyprop-1-ene is sourced from PubChem (CID 174702941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).