2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane

C11H18F3O4P — CID 134856419

IUPAC2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane
SMILESCCOP(=O)(/C=C(/C1CCCO1)C(F)(F)F)OCC
InChIInChI=1S/C11H18F3O4P/c1-3-17-19(15,18-4-2)8-9(11(12,13)14)10-6-5-7-16-10/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyDECWHUXPCPHPCV-HJWRWDBZSA-N
MW302.23 g/mol
LogP3.88
Rot. Bonds6

About 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane

2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane (PubChem CID 134856419) has the molecular formula C11H18F3O4P and a molecular weight of 302.23 g/mol. Its IUPAC name is 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane.

Molecular Properties

Compound Name2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane
PubChem CID134856419
Molecular FormulaC11H18F3O4P
Molecular Weight302.23 g/mol
Exact Mass302.09
IUPAC Name2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane
SMILESCCOP(=O)(/C=C(/C1CCCO1)C(F)(F)F)OCC
InChIInChI=1S/C11H18F3O4P/c1-3-17-19(15,18-4-2)8-9(11(12,13)14)10-6-5-7-16-10/h8,10H,3-7H2,1-2H3/b9-8-
InChIKeyDECWHUXPCPHPCV-HJWRWDBZSA-N
XLogP3.88
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
CID 81341090
(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
(3S)-5-diethoxyphosphoryl-3-[(2R)-oxan-2-yl]oxypent-4-en-1-ol
CID 57123130
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289
diethyl carbonate;2-methyloxolane
CID 174662331
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane?
The IUPAC name of 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane (CID 134856419) is 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane.
What is the SMILES notation for 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane?
The canonical SMILES for 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane is CCOP(=O)(/C=C(/C1CCCO1)C(F)(F)F)OCC.
What is the InChIKey of 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane?
The InChIKey is DECWHUXPCPHPCV-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18F3O4P/c1-3-17-19(15,18-4-2)8-9(11(12,13)14)10-6-5-7-16-10/h8,10H,3-7H2,1-2H3/b9-8-.
What are the key properties of 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane?
2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane has a molecular weight of 302.23 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-diethoxyphosphoryl-3,3,3-trifluoroprop-1-en-2-yl]oxolane is sourced from PubChem (CID 134856419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).