(E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene

C5H6ClF4O3P — CID 23418458

IUPAC(E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene
SMILESCOP(=O)(OC)/C(F)=C(/Cl)C(F)(F)F
InChIInChI=1S/C5H6ClF4O3P/c1-12-14(11,13-2)4(7)3(6)5(8,9)10/h1-2H3/b4-3+
InChIKeyZRQZLYLCYQZXIJ-ONEGZZNKSA-N
MW256.52 g/mol
LogP3.41
Rot. Bonds3

About (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene

(E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene (PubChem CID 23418458) has the molecular formula C5H6ClF4O3P and a molecular weight of 256.52 g/mol. Its IUPAC name is (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene.

Molecular Properties

Compound Name(E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene
PubChem CID23418458
Molecular FormulaC5H6ClF4O3P
Molecular Weight256.52 g/mol
Exact Mass255.97
IUPAC Name(E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene
SMILESCOP(=O)(OC)/C(F)=C(/Cl)C(F)(F)F
InChIInChI=1S/C5H6ClF4O3P/c1-12-14(11,13-2)4(7)3(6)5(8,9)10/h1-2H3/b4-3+
InChIKeyZRQZLYLCYQZXIJ-ONEGZZNKSA-N
XLogP3.41
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 53.41
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 (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene?
The IUPAC name of (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene (CID 23418458) is (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene.
What is the SMILES notation for (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene?
The canonical SMILES for (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene is COP(=O)(OC)/C(F)=C(/Cl)C(F)(F)F.
What is the InChIKey of (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene?
The InChIKey is ZRQZLYLCYQZXIJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H6ClF4O3P/c1-12-14(11,13-2)4(7)3(6)5(8,9)10/h1-2H3/b4-3+.
What are the key properties of (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene?
(E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene has a molecular weight of 256.52 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloro-1-dimethoxyphosphoryl-1,3,3,3-tetrafluoroprop-1-ene is sourced from PubChem (CID 23418458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).