3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene

C6H10FO3P — CID 24828772

IUPAC3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(F)OCC=C
InChIInChI=1S/C6H10FO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyYSWAIVWOTJCBNV-UHFFFAOYSA-N
MW180.11 g/mol
LogP2.47
Rot. Bonds6

About 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene

3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene (PubChem CID 24828772) has the molecular formula C6H10FO3P and a molecular weight of 180.11 g/mol. Its IUPAC name is 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene
PubChem CID24828772
Molecular FormulaC6H10FO3P
Molecular Weight180.11 g/mol
Exact Mass180.04
IUPAC Name3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene
SMILESC=CCOP(=O)(F)OCC=C
InChIInChI=1S/C6H10FO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-4H,1-2,5-6H2
InChIKeyYSWAIVWOTJCBNV-UHFFFAOYSA-N
XLogP2.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Triallyl phosphate
CID 15390
(2E)-2-Buten-1-yl P-methylphosphonofluoridate
CID 6438716
Diallyl hydrogen phosphate
CID 545426
Diethyl 2-propen-1-yl phosphate
CID 229774
Diallyl chlorophosphate
CID 4187658
Diallyl hydrogen phosphite
CID 6327420
Phosphoric acid, dimethyl 2-propenyl ester
CID 573628
Phosphonofluoridic acid, P-methyl-, (2E)-2-buten-1-yl ester
CID 126398
Phosphonic acid, methyl-, di-2-propenyl ester
CID 11309824
3-Difluorophosphoryloxyprop-1-ene
CID 86019932
Fluoro(prop-2-enoxy)phosphinic acid
CID 87119526
Fluorooxy-oxo-prop-2-enoxyphosphanium
CID 87170414

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene (CID 24828772) is 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene is C=CCOP(=O)(F)OCC=C.
What is the InChIKey of 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
The InChIKey is YSWAIVWOTJCBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FO3P/c1-3-5-9-11(7,8)10-6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene?
3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene has a molecular weight of 180.11 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(prop-2-enoxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 24828772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).