1-difluorophosphoryloxyprop-1-ene

C3H5F2O2P — CID 130422601

IUPAC1-difluorophosphoryloxyprop-1-ene
SMILESCC=COP(=O)(F)F
InChIInChI=1S/C3H5F2O2P/c1-2-3-7-8(4,5)6/h2-3H,1H3
InChIKeyWMTONYCRBAMCID-UHFFFAOYSA-N
MW142.04 g/mol
LogP2.58
Rot. Bonds2

About 1-difluorophosphoryloxyprop-1-ene

1-difluorophosphoryloxyprop-1-ene (PubChem CID 130422601) has the molecular formula C3H5F2O2P and a molecular weight of 142.04 g/mol. Its IUPAC name is 1-difluorophosphoryloxyprop-1-ene.

Molecular Properties

Compound Name1-difluorophosphoryloxyprop-1-ene
PubChem CID130422601
Molecular FormulaC3H5F2O2P
Molecular Weight142.04 g/mol
Exact Mass142.00
IUPAC Name1-difluorophosphoryloxyprop-1-ene
SMILESCC=COP(=O)(F)F
InChIInChI=1S/C3H5F2O2P/c1-2-3-7-8(4,5)6/h2-3H,1H3
InChIKeyWMTONYCRBAMCID-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.04
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-[bromo(fluoro)phosphoryl]oxyprop-1-ene
CID 130422658
difluoro prop-1-enyl phosphate
CID 130422600
dilithium;prop-1-enyl phosphate
CID 177307945
methyl(prop-1-enoxy)phosphinic acid
CID 154509834
chloro bis(prop-1-enyl) phosphate
CID 130422739
1-difluorophosphoryloxybut-2-ene
CID 130422729
prop-1-enyl propyl hydrogen phosphate
CID 87732909
dibutyl [(E)-prop-1-enyl] phosphate
CID 5372398
[3-bis(prop-1-enoxy)phosphoryl-2,2-dimethylpropyl]phosphonic acid
CID 54278040
but-2-ene;1-methoxyprop-1-ene
CID 91394801
fluoro(methoxy)phosphinic acid
CID 23235630
tris(2-prop-1-enoxyethyl) phosphate
CID 150385672

Frequently Asked Questions

What is the IUPAC name of 1-difluorophosphoryloxyprop-1-ene?
The IUPAC name of 1-difluorophosphoryloxyprop-1-ene (CID 130422601) is 1-difluorophosphoryloxyprop-1-ene.
What is the SMILES notation for 1-difluorophosphoryloxyprop-1-ene?
The canonical SMILES for 1-difluorophosphoryloxyprop-1-ene is CC=COP(=O)(F)F.
What is the InChIKey of 1-difluorophosphoryloxyprop-1-ene?
The InChIKey is WMTONYCRBAMCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2O2P/c1-2-3-7-8(4,5)6/h2-3H,1H3.
What are the key properties of 1-difluorophosphoryloxyprop-1-ene?
1-difluorophosphoryloxyprop-1-ene has a molecular weight of 142.04 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-difluorophosphoryloxyprop-1-ene is sourced from PubChem (CID 130422601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).