3-dichlorophosphoryloxy-1,1,1-trifluoropropane

C3H4Cl2F3O2P — CID 58544432

IUPAC3-dichlorophosphoryloxy-1,1,1-trifluoropropane
SMILESO=P(Cl)(Cl)OCCC(F)(F)F
InChIInChI=1S/C3H4Cl2F3O2P/c4-11(5,9)10-2-1-3(6,7)8/h1-2H2
InChIKeyGTTNNGIPAPUXII-UHFFFAOYSA-N
MW230.94 g/mol
LogP3.54
Rot. Bonds3

About 3-dichlorophosphoryloxy-1,1,1-trifluoropropane

3-dichlorophosphoryloxy-1,1,1-trifluoropropane (PubChem CID 58544432) has the molecular formula C3H4Cl2F3O2P and a molecular weight of 230.94 g/mol. Its IUPAC name is 3-dichlorophosphoryloxy-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-dichlorophosphoryloxy-1,1,1-trifluoropropane
PubChem CID58544432
Molecular FormulaC3H4Cl2F3O2P
Molecular Weight230.94 g/mol
Exact Mass229.93
IUPAC Name3-dichlorophosphoryloxy-1,1,1-trifluoropropane
SMILESO=P(Cl)(Cl)OCCC(F)(F)F
InChIInChI=1S/C3H4Cl2F3O2P/c4-11(5,9)10-2-1-3(6,7)8/h1-2H2
InChIKeyGTTNNGIPAPUXII-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.94
LogP ≤ 53.54
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 3-dichlorophosphoryloxy-1,1,1-trifluoropropane?
The IUPAC name of 3-dichlorophosphoryloxy-1,1,1-trifluoropropane (CID 58544432) is 3-dichlorophosphoryloxy-1,1,1-trifluoropropane.
What is the SMILES notation for 3-dichlorophosphoryloxy-1,1,1-trifluoropropane?
The canonical SMILES for 3-dichlorophosphoryloxy-1,1,1-trifluoropropane is O=P(Cl)(Cl)OCCC(F)(F)F.
What is the InChIKey of 3-dichlorophosphoryloxy-1,1,1-trifluoropropane?
The InChIKey is GTTNNGIPAPUXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F3O2P/c4-11(5,9)10-2-1-3(6,7)8/h1-2H2.
What are the key properties of 3-dichlorophosphoryloxy-1,1,1-trifluoropropane?
3-dichlorophosphoryloxy-1,1,1-trifluoropropane has a molecular weight of 230.94 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dichlorophosphoryloxy-1,1,1-trifluoropropane is sourced from PubChem (CID 58544432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).