2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene

C5H6F5O3P — CID 12614994

IUPAC2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCOP(=O)(OC)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F5O3P/c1-12-14(11,13-2)3(4(6)7)5(8,9)10/h1-2H3
InChIKeyMKXWDAVZCZFYOX-UHFFFAOYSA-N
MW240.06 g/mol
LogP3.14
Rot. Bonds3

About 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene

2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene (PubChem CID 12614994) has the molecular formula C5H6F5O3P and a molecular weight of 240.06 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene
PubChem CID12614994
Molecular FormulaC5H6F5O3P
Molecular Weight240.06 g/mol
Exact Mass240.00
IUPAC Name2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene
SMILESCOP(=O)(OC)C(=C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F5O3P/c1-12-14(11,13-2)3(4(6)7)5(8,9)10/h1-2H3
InChIKeyMKXWDAVZCZFYOX-UHFFFAOYSA-N
XLogP3.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.06
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
The IUPAC name of 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene (CID 12614994) is 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene.
What is the SMILES notation for 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
The canonical SMILES for 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene is COP(=O)(OC)C(=C(F)F)C(F)(F)F.
What is the InChIKey of 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
The InChIKey is MKXWDAVZCZFYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5O3P/c1-12-14(11,13-2)3(4(6)7)5(8,9)10/h1-2H3.
What are the key properties of 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene?
2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene has a molecular weight of 240.06 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1,1,3,3,3-pentafluoroprop-1-ene is sourced from PubChem (CID 12614994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).