(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene

C9H13F6O3P — CID 11066985

IUPAC(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene
SMILESCC(C)/C=C\P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H13F6O3P/c1-7(2)3-4-19(16,17-5-8(10,11)12)18-6-9(13,14)15/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeyXZUKDCBWSRFKMM-ARJAWSKDSA-N
MW314.16 g/mol
LogP4.51
Rot. Bonds6

About (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene

(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene (PubChem CID 11066985) has the molecular formula C9H13F6O3P and a molecular weight of 314.16 g/mol. Its IUPAC name is (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene.

Molecular Properties

Compound Name(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene
PubChem CID11066985
Molecular FormulaC9H13F6O3P
Molecular Weight314.16 g/mol
Exact Mass314.05
IUPAC Name(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene
SMILESCC(C)/C=C\P(=O)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C9H13F6O3P/c1-7(2)3-4-19(16,17-5-8(10,11)12)18-6-9(13,14)15/h3-4,7H,5-6H2,1-2H3/b4-3-
InChIKeyXZUKDCBWSRFKMM-ARJAWSKDSA-N
XLogP4.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.16
LogP ≤ 54.51
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(1,1-difluoro-3-butenyl)phosphonate
CID 10353710
(Z)-1-diethoxyphosphoryl-2,3,3,4,4,4-hexafluorobut-1-ene
CID 13196904
(E)-1-diethoxyphosphoryl-3-fluorobut-1-ene
CID 13635635
4-Diethoxyphosphoryl-1,1,4,4-tetrafluorobut-1-ene
CID 14268063
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
(E)-1-diethoxyphosphoryl-3-methylbut-1-ene
CID 11830581
4-Diethoxyphosphoryl-4-fluorobut-1-ene
CID 10774791
3-[Ethyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87623348
3-[Butyl(1,1,1-trifluorobut-3-en-2-yloxy)phosphoryl]oxy-4,4,4-trifluorobut-1-ene
CID 87624466
1,1,1-Trifluoro-2-[prop-2-enyl(1,1,1-trifluoropropan-2-yloxy)phosphoryl]oxypropane
CID 87625651
(E)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]but-2-ene
CID 87699622
4-[But-3-enoxy(2,2,2-trifluoroethyl)phosphoryl]oxybut-1-ene
CID 90706509

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene?
The IUPAC name of (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene (CID 11066985) is (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene.
What is the SMILES notation for (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene?
The canonical SMILES for (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene is CC(C)/C=C\P(=O)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene?
The InChIKey is XZUKDCBWSRFKMM-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H13F6O3P/c1-7(2)3-4-19(16,17-5-8(10,11)12)18-6-9(13,14)15/h3-4,7H,5-6H2,1-2H3/b4-3-.
What are the key properties of (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene?
(Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene has a molecular weight of 314.16 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-3-methylbut-1-ene is sourced from PubChem (CID 11066985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).