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

C13H21F2O3P — CID 11403641

IUPAC(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane
SMILESCCOP(=O)(OCC)C(F)(F)C=C=C1CCCCC1
InChIInChI=1S/C13H21F2O3P/c1-3-17-19(16,18-4-2)13(14,15)11-10-12-8-6-5-7-9-12/h11H,3-9H2,1-2H3
InChIKeyIMTKOHRKMACXKB-UHFFFAOYSA-N
MW294.28 g/mol
LogP4.89
Rot. Bonds6

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

(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane (PubChem CID 11403641) has the molecular formula C13H21F2O3P and a molecular weight of 294.28 g/mol. Its IUPAC name is (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane.

Molecular Properties

Compound Name(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane
PubChem CID11403641
Molecular FormulaC13H21F2O3P
Molecular Weight294.28 g/mol
Exact Mass294.12
IUPAC Name(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane
SMILESCCOP(=O)(OCC)C(F)(F)C=C=C1CCCCC1
InChIInChI=1S/C13H21F2O3P/c1-3-17-19(16,18-4-2)13(14,15)11-10-12-8-6-5-7-9-12/h11H,3-9H2,1-2H3
InChIKeyIMTKOHRKMACXKB-UHFFFAOYSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 54.89
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

Diethyl (2-cyclohexylideneethenyl)phosphonate
CID 12473820
(Cyclohex-1-enyl-difluoro-methyl)-phosphonic acid diethyl ester
CID 10563797
(1,1-Difluoro-2-methylene-octyl)-phosphonic acid diethyl ester
CID 10709179
2-Diethoxyphosphoryl-4-ethyl-1,1,1-trifluorohexa-2,3-diene
CID 50993094
1-Diethoxyphosphoryl-1-fluoroocta-1,2-diene
CID 10611631
2-[Diethoxyphosphoryl(difluoro)methyl]hex-1-ene
CID 15418134
1-Diethoxyphosphoryl-1,1-difluorohepta-2,3-diene
CID 101098289
(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene
CID 102089618
1-Diethoxyphosphoryl-4-ethyl-1,1-difluorohexa-2,3-diene
CID 102254198
(3-Diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclopentane
CID 102254199
1-Diethoxyphosphoryl-1,1-difluoro-4-methylhexa-2,3-diene
CID 102254200
3-Diethoxyphosphoryl-1-(difluoromethyl)cyclohexene
CID 162536384

Frequently Asked Questions

What is the IUPAC name of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane?
The IUPAC name of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane (CID 11403641) is (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane.
What is the SMILES notation for (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane?
The canonical SMILES for (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane is CCOP(=O)(OCC)C(F)(F)C=C=C1CCCCC1.
What is the InChIKey of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane?
The InChIKey is IMTKOHRKMACXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2O3P/c1-3-17-19(16,18-4-2)13(14,15)11-10-12-8-6-5-7-9-12/h11H,3-9H2,1-2H3.
What are the key properties of (3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane?
(3-diethoxyphosphoryl-3,3-difluoroprop-1-enylidene)cyclohexane has a molecular weight of 294.28 g/mol, XLogP of 4.89, 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)cyclohexane is sourced from PubChem (CID 11403641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).