1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane

C8H14F3O2P — CID 87155744

IUPAC1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane
SMILESC=CP(=O)(CCCC)OCC(F)(F)F
InChIInChI=1S/C8H14F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h4H,2-3,5-7H2,1H3
InChIKeyXSDLKDFIQPUPGI-UHFFFAOYSA-N
MW230.17 g/mol
LogP3.79
Rot. Bonds6

About 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane

1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane (PubChem CID 87155744) has the molecular formula C8H14F3O2P and a molecular weight of 230.17 g/mol. Its IUPAC name is 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane.

Molecular Properties

Compound Name1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane
PubChem CID87155744
Molecular FormulaC8H14F3O2P
Molecular Weight230.17 g/mol
Exact Mass230.07
IUPAC Name1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane
SMILESC=CP(=O)(CCCC)OCC(F)(F)F
InChIInChI=1S/C8H14F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h4H,2-3,5-7H2,1H3
InChIKeyXSDLKDFIQPUPGI-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.17
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The IUPAC name of 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane (CID 87155744) is 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane.
What is the SMILES notation for 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The canonical SMILES for 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane is C=CP(=O)(CCCC)OCC(F)(F)F.
What is the InChIKey of 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
The InChIKey is XSDLKDFIQPUPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3O2P/c1-3-5-6-14(12,4-2)13-7-8(9,10)11/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane?
1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane has a molecular weight of 230.17 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenyl(2,2,2-trifluoroethoxy)phosphoryl]butane is sourced from PubChem (CID 87155744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).