(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane

C12H19F2O3P — CID 102254199

IUPAC(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane
SMILESCCOP(=O)(OCC)C(F)(F)C=C=C1CCCC1
InChIInChI=1S/C12H19F2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-9-11-7-5-6-8-11/h10H,3-8H2,1-2H3
InChIKeyRKKWDCLMRMHUSI-UHFFFAOYSA-N
MW280.25 g/mol
LogP4.50
Rot. Bonds6

About (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane

(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane (PubChem CID 102254199) has the molecular formula C12H19F2O3P and a molecular weight of 280.25 g/mol. Its IUPAC name is (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane.

Molecular Properties

Compound Name(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane
PubChem CID102254199
Molecular FormulaC12H19F2O3P
Molecular Weight280.25 g/mol
Exact Mass280.10
IUPAC Name(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane
SMILESCCOP(=O)(OCC)C(F)(F)C=C=C1CCCC1
InChIInChI=1S/C12H19F2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-9-11-7-5-6-8-11/h10H,3-8H2,1-2H3
InChIKeyRKKWDCLMRMHUSI-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 54.50
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

(3-Diethoxyphosphoryl-1,1,1-trifluoropropan-2-ylidene)cyclopentane
CID 10108803
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
1-Diethoxyphosphoryl-1,1-difluoro-4-methylpenta-2,3-diene
CID 101098290
(3-Diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane
CID 11403641
1-Diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
CID 11437096
(3-Cyclopentylidene-1,1-difluoroprop-2-enyl)-ethoxyphosphinic acid
CID 11975165
2-[Diethoxyphosphoryl(difluoro)methyl]but-1-ene
CID 15418132
2-[Diethoxyphosphoryl(difluoro)methyl]hex-1-ene
CID 15418134
1-[Diethoxyphosphoryl(difluoro)methyl]cyclopentene
CID 15418135
(1E)-1-(diethoxyphosphorylmethylidene)-2-fluorocyclopentane
CID 101027985
1-Diethoxyphosphoryl-1,1-difluorohepta-2,3-diene
CID 101098289

Frequently Asked Questions

What is the IUPAC name of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane?
The IUPAC name of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane (CID 102254199) is (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane.
What is the SMILES notation for (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane?
The canonical SMILES for (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane is CCOP(=O)(OCC)C(F)(F)C=C=C1CCCC1.
What is the InChIKey of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane?
The InChIKey is RKKWDCLMRMHUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2O3P/c1-3-16-18(15,17-4-2)12(13,14)10-9-11-7-5-6-8-11/h10H,3-8H2,1-2H3.
What are the key properties of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane?
(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane has a molecular weight of 280.25 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane is sourced from PubChem (CID 102254199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).