2-[chloro(fluoro)phosphoryl]oxypropane

C3H7ClFO2P — CID 130422726

IUPAC2-[chloro(fluoro)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(F)Cl
InChIInChI=1S/C3H7ClFO2P/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeyPLUNSHMWFINEJE-UHFFFAOYSA-N
MW160.51 g/mol
LogP2.73
Rot. Bonds2

About 2-[chloro(fluoro)phosphoryl]oxypropane

2-[chloro(fluoro)phosphoryl]oxypropane (PubChem CID 130422726) has the molecular formula C3H7ClFO2P and a molecular weight of 160.51 g/mol. Its IUPAC name is 2-[chloro(fluoro)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[chloro(fluoro)phosphoryl]oxypropane
PubChem CID130422726
Molecular FormulaC3H7ClFO2P
Molecular Weight160.51 g/mol
Exact Mass159.99
IUPAC Name2-[chloro(fluoro)phosphoryl]oxypropane
SMILESCC(C)OP(=O)(F)Cl
InChIInChI=1S/C3H7ClFO2P/c1-3(2)7-8(4,5)6/h3H,1-2H3
InChIKeyPLUNSHMWFINEJE-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.51
LogP ≤ 52.73
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 2-[chloro(fluoro)phosphoryl]oxypropane?
The IUPAC name of 2-[chloro(fluoro)phosphoryl]oxypropane (CID 130422726) is 2-[chloro(fluoro)phosphoryl]oxypropane.
What is the SMILES notation for 2-[chloro(fluoro)phosphoryl]oxypropane?
The canonical SMILES for 2-[chloro(fluoro)phosphoryl]oxypropane is CC(C)OP(=O)(F)Cl.
What is the InChIKey of 2-[chloro(fluoro)phosphoryl]oxypropane?
The InChIKey is PLUNSHMWFINEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClFO2P/c1-3(2)7-8(4,5)6/h3H,1-2H3.
What are the key properties of 2-[chloro(fluoro)phosphoryl]oxypropane?
2-[chloro(fluoro)phosphoryl]oxypropane has a molecular weight of 160.51 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(fluoro)phosphoryl]oxypropane is sourced from PubChem (CID 130422726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).