1-[chloro(fluoro)phosphoryl]oxypropane

C3H7ClFO2P — CID 87187187

IUPAC1-[chloro(fluoro)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)Cl
InChIInChI=1S/C3H7ClFO2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeyNVEJPWOPCVAOCO-UHFFFAOYSA-N
MW160.51 g/mol
LogP2.73
Rot. Bonds3

About 1-[chloro(fluoro)phosphoryl]oxypropane

1-[chloro(fluoro)phosphoryl]oxypropane (PubChem CID 87187187) has the molecular formula C3H7ClFO2P and a molecular weight of 160.51 g/mol. Its IUPAC name is 1-[chloro(fluoro)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[chloro(fluoro)phosphoryl]oxypropane
PubChem CID87187187
Molecular FormulaC3H7ClFO2P
Molecular Weight160.51 g/mol
Exact Mass159.99
IUPAC Name1-[chloro(fluoro)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)Cl
InChIInChI=1S/C3H7ClFO2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3
InChIKeyNVEJPWOPCVAOCO-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 1-[chloro(fluoro)phosphoryl]oxypropane?
The IUPAC name of 1-[chloro(fluoro)phosphoryl]oxypropane (CID 87187187) is 1-[chloro(fluoro)phosphoryl]oxypropane.
What is the SMILES notation for 1-[chloro(fluoro)phosphoryl]oxypropane?
The canonical SMILES for 1-[chloro(fluoro)phosphoryl]oxypropane is CCCOP(=O)(F)Cl.
What is the InChIKey of 1-[chloro(fluoro)phosphoryl]oxypropane?
The InChIKey is NVEJPWOPCVAOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClFO2P/c1-2-3-7-8(4,5)6/h2-3H2,1H3.
What are the key properties of 1-[chloro(fluoro)phosphoryl]oxypropane?
1-[chloro(fluoro)phosphoryl]oxypropane has a molecular weight of 160.51 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(fluoro)phosphoryl]oxypropane is sourced from PubChem (CID 87187187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).