1-[ethoxy(fluoro)phosphoryl]oxypropane

C5H12FO3P — CID 87128084

IUPAC1-[ethoxy(fluoro)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)OCC
InChIInChI=1S/C5H12FO3P/c1-3-5-9-10(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyFYEVDJVVTNKXLQ-UHFFFAOYSA-N
MW170.12 g/mol
LogP2.53
Rot. Bonds5

About 1-[ethoxy(fluoro)phosphoryl]oxypropane

1-[ethoxy(fluoro)phosphoryl]oxypropane (PubChem CID 87128084) has the molecular formula C5H12FO3P and a molecular weight of 170.12 g/mol. Its IUPAC name is 1-[ethoxy(fluoro)phosphoryl]oxypropane.

Molecular Properties

Compound Name1-[ethoxy(fluoro)phosphoryl]oxypropane
PubChem CID87128084
Molecular FormulaC5H12FO3P
Molecular Weight170.12 g/mol
Exact Mass170.05
IUPAC Name1-[ethoxy(fluoro)phosphoryl]oxypropane
SMILESCCCOP(=O)(F)OCC
InChIInChI=1S/C5H12FO3P/c1-3-5-9-10(6,7)8-4-2/h3-5H2,1-2H3
InChIKeyFYEVDJVVTNKXLQ-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diisopropyl Fluorophosphate
CID 5936
Sarin
CID 7871
Diethyl hydrogen phosphite
CID 6327654
Ethylsarin
CID 65566
Diethyl fluorophosphate
CID 67752
Ethyl methyl phosphorofluoridate
CID 120240
Phosphonic acid, dipropyl ester
CID 6327351
Ethyl methylphosphonofluoridate
CID 160541
Pentyl methylphosphonofluoridate
CID 518769
Propyl Ethylphosphonofluoridate
CID 520458
1-Methylpropyl methylphosphonofluoridate
CID 520723
Butyl methylphosphonofluoridate
CID 520724

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(fluoro)phosphoryl]oxypropane?
The IUPAC name of 1-[ethoxy(fluoro)phosphoryl]oxypropane (CID 87128084) is 1-[ethoxy(fluoro)phosphoryl]oxypropane.
What is the SMILES notation for 1-[ethoxy(fluoro)phosphoryl]oxypropane?
The canonical SMILES for 1-[ethoxy(fluoro)phosphoryl]oxypropane is CCCOP(=O)(F)OCC.
What is the InChIKey of 1-[ethoxy(fluoro)phosphoryl]oxypropane?
The InChIKey is FYEVDJVVTNKXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FO3P/c1-3-5-9-10(6,7)8-4-2/h3-5H2,1-2H3.
What are the key properties of 1-[ethoxy(fluoro)phosphoryl]oxypropane?
1-[ethoxy(fluoro)phosphoryl]oxypropane has a molecular weight of 170.12 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(fluoro)phosphoryl]oxypropane is sourced from PubChem (CID 87128084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).