6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene

C12H23F2O3P — CID 23236893

IUPAC6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
SMILESCCOP(=O)(OCC)C(CCC=C(C)C)C(F)F
InChIInChI=1S/C12H23F2O3P/c1-5-16-18(15,17-6-2)11(12(13)14)9-7-8-10(3)4/h8,11-12H,5-7,9H2,1-4H3
InChIKeyXZOFHMFIAZYYHW-UHFFFAOYSA-N
MW284.28 g/mol
LogP4.63
Rot. Bonds9

About 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene

6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene (PubChem CID 23236893) has the molecular formula C12H23F2O3P and a molecular weight of 284.28 g/mol. Its IUPAC name is 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene.

Molecular Properties

Compound Name6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
PubChem CID23236893
Molecular FormulaC12H23F2O3P
Molecular Weight284.28 g/mol
Exact Mass284.14
IUPAC Name6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene
SMILESCCOP(=O)(OCC)C(CCC=C(C)C)C(F)F
InChIInChI=1S/C12H23F2O3P/c1-5-16-18(15,17-6-2)11(12(13)14)9-7-8-10(3)4/h8,11-12H,5-7,9H2,1-4H3
InChIKeyXZOFHMFIAZYYHW-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 54.63
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

Trifluorofurnesyl diphosphate
CID 449547
[[(2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trienoxy]-oxidophosphoryl] phosphate
CID 44629685
((E)-1,1-Difluoro-hept-2-enyl)-phosphonic acid diethyl ester
CID 10539959
(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
(4E)-5-[diethoxyphosphoryl(difluoro)methyl]-6,6,6-trifluoro-4-(trifluoromethyl)hexa-1,4-diene
CID 11003655
(E)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 14268060
(Z)-5-diethoxyphosphoryl-5,5-difluoropent-2-ene
CID 139264136
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879
(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
(3-Diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 10108803
[3-Di(propan-2-yloxy)phosphoryl-1,1,1-trifluoropropan-2-ylidene]cyclopentane
CID 10404207
(Z)-1-diethoxyphosphoryl-1,1-difluoro-3-iodohept-2-ene
CID 15786804

Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene?
The IUPAC name of 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene (CID 23236893) is 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene.
What is the SMILES notation for 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene?
The canonical SMILES for 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene is CCOP(=O)(OCC)C(CCC=C(C)C)C(F)F.
What is the InChIKey of 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene?
The InChIKey is XZOFHMFIAZYYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2O3P/c1-5-16-18(15,17-6-2)11(12(13)14)9-7-8-10(3)4/h8,11-12H,5-7,9H2,1-4H3.
What are the key properties of 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene?
6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene has a molecular weight of 284.28 g/mol, XLogP of 4.63, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphoryl-7,7-difluoro-2-methylhept-2-ene is sourced from PubChem (CID 23236893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).