(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene

C11H20F3O3P — CID 102089618

IUPAC(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene
SMILESCCCC/C(=C/P(=O)(OCC)OCC)C(F)(F)F
InChIInChI=1S/C11H20F3O3P/c1-4-7-8-10(11(12,13)14)9-18(15,16-5-2)17-6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyZQRYZBQXGJPNAA-KTKRTIGZSA-N
MW288.25 g/mol
LogP4.89
Rot. Bonds8

About (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene

(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene (PubChem CID 102089618) has the molecular formula C11H20F3O3P and a molecular weight of 288.25 g/mol. Its IUPAC name is (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene.

Molecular Properties

Compound Name(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene
PubChem CID102089618
Molecular FormulaC11H20F3O3P
Molecular Weight288.25 g/mol
Exact Mass288.11
IUPAC Name(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene
SMILESCCCC/C(=C/P(=O)(OCC)OCC)C(F)(F)F
InChIInChI=1S/C11H20F3O3P/c1-4-7-8-10(11(12,13)14)9-18(15,16-5-2)17-6-3/h9H,4-8H2,1-3H3/b10-9-
InChIKeyZQRYZBQXGJPNAA-KTKRTIGZSA-N
XLogP4.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
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

Diethoxyphosphorylmethylidenecyclohexane
CID 12860450
(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
(E)-2-(diethoxyphosphorylmethyl)-1,1,1-trifluoro-3-methylhex-2-ene
CID 101921764
(2-Diethoxyphosphoryl-3,3,3-trifluoroprop-1-enylidene)cyclopentane
CID 102260719
Hex-1-enyl-oxo-(2,2,2-trifluoroethoxy)phosphanium
CID 154510730
(1,1-Difluoro-3-methylbut-3-enyl)-dipropoxyphosphane
CID 167149223
2-[Bis(2,2,2-trifluoroethoxy)phosphoryl]oct-1-ene
CID 175713391
1-[Bis(2,2,2-trifluoroethoxy)phosphoryl]oct-1-ene
CID 175746298
(3Z)-3-(diethoxyphosphorylmethylidene)heptane
CID 10562512
(Z)-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10633435
5-(Diethoxyphosphorylmethylidene)nonane
CID 10660090

Frequently Asked Questions

What is the IUPAC name of (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene?
The IUPAC name of (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene (CID 102089618) is (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene.
What is the SMILES notation for (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene?
The canonical SMILES for (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene is CCCC/C(=C/P(=O)(OCC)OCC)C(F)(F)F.
What is the InChIKey of (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene?
The InChIKey is ZQRYZBQXGJPNAA-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H20F3O3P/c1-4-7-8-10(11(12,13)14)9-18(15,16-5-2)17-6-3/h9H,4-8H2,1-3H3/b10-9-.
What are the key properties of (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene?
(Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene has a molecular weight of 288.25 g/mol, XLogP of 4.89, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-diethoxyphosphoryl-2-(trifluoromethyl)hex-1-ene is sourced from PubChem (CID 102089618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).