1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane

C8H15F2O3P — CID 134932461

IUPAC1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)/C(F)=C/F
InChIInChI=1S/C8H15F2O3P/c1-3-5-12-14(11,8(10)7-9)13-6-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyHATPTUHYVMXMMV-BQYQJAHWSA-N
MW228.17 g/mol
LogP3.77
Rot. Bonds7

About 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane

1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane (PubChem CID 134932461) has the molecular formula C8H15F2O3P and a molecular weight of 228.17 g/mol. Its IUPAC name is 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane.

Molecular Properties

Compound Name1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane
PubChem CID134932461
Molecular FormulaC8H15F2O3P
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC Name1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane
SMILESCCCOP(=O)(OCCC)/C(F)=C/F
InChIInChI=1S/C8H15F2O3P/c1-3-5-12-14(11,8(10)7-9)13-6-4-2/h7H,3-6H2,1-2H3/b8-7+
InChIKeyHATPTUHYVMXMMV-BQYQJAHWSA-N
XLogP3.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-Fluoro-vinyl)-phosphonic acid diisopropyl ester
CID 13667627
Diethyl trifluorovinylphosphonate
CID 14115299
1-Diethoxyphosphoryl-1,1-difluoropropane
CID 10013537
1-[Propoxy(trifluoromethyl)phosphoryl]oxypropane
CID 102450606
(E)-1-diethoxyphosphoryl-1-fluoro-prop-1-ene
CID 6277641
1-Diethoxyphosphoryl-1-fluoropropa-1,2-diene
CID 10797877
Diethyl (nonafluorobutyl)phosphonate
CID 12731015
Ethyl propyl (trifluoromethyl)phosphonate
CID 13207015
2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-ene
CID 101511757
Diethyl (1,1,2-trifluoro-2-propenyl)phosphonate
CID 53986716
3-Fluoropropoxy-methyl-oxophosphanium
CID 54384474
1-[Ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87155744

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane?
The IUPAC name of 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane (CID 134932461) is 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane.
What is the SMILES notation for 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane?
The canonical SMILES for 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane is CCCOP(=O)(OCCC)/C(F)=C/F.
What is the InChIKey of 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane?
The InChIKey is HATPTUHYVMXMMV-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15F2O3P/c1-3-5-12-14(11,8(10)7-9)13-6-4-2/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane?
1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane has a molecular weight of 228.17 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-1,2-difluoroethenyl]-propoxyphosphoryl]oxypropane is sourced from PubChem (CID 134932461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).