1-[fluoro(methyl)phosphoryl]oxyoctane

C9H20FO2P — CID 567103

IUPAC1-[fluoro(methyl)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(C)(=O)F
InChIInChI=1S/C9H20FO2P/c1-3-4-5-6-7-8-9-12-13(2,10)11/h3-9H2,1-2H3
InChIKeyXAVFRYCJJPXCHR-UHFFFAOYSA-N
MW210.23 g/mol
LogP4.16
Rot. Bonds8

About 1-[fluoro(methyl)phosphoryl]oxyoctane

1-[fluoro(methyl)phosphoryl]oxyoctane (PubChem CID 567103) has the molecular formula C9H20FO2P and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[fluoro(methyl)phosphoryl]oxyoctane.

Molecular Properties

Compound Name1-[fluoro(methyl)phosphoryl]oxyoctane
PubChem CID567103
Molecular FormulaC9H20FO2P
Molecular Weight210.23 g/mol
Exact Mass210.12
IUPAC Name1-[fluoro(methyl)phosphoryl]oxyoctane
SMILESCCCCCCCCOP(C)(=O)F
InChIInChI=1S/C9H20FO2P/c1-3-4-5-6-7-8-9-12-13(2,10)11/h3-9H2,1-2H3
InChIKeyXAVFRYCJJPXCHR-UHFFFAOYSA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[fluoro(methyl)phosphoryl]oxyoctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lauryl Phosphate
CID 75816
Myristyl Phosphate
CID 82327
Decyl phosphate
CID 62532
Dodecylphosphate
CID 1550836
Monotridecyl phosphate
CID 82161
Dioctyl phosphonate
CID 6328721
Monooctyl phosphate
CID 19892
Phosphoric acid, octyl ester
CID 21896147
Phosphonic acid, ditridecyl ester
CID 6327512
Dilauryl phosphite
CID 6327798
Ethyl octyl phosphate
CID 209698
Ethyl octylphosphonofluoridate
CID 21080074

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(methyl)phosphoryl]oxyoctane?
The IUPAC name of 1-[fluoro(methyl)phosphoryl]oxyoctane (CID 567103) is 1-[fluoro(methyl)phosphoryl]oxyoctane.
What is the SMILES notation for 1-[fluoro(methyl)phosphoryl]oxyoctane?
The canonical SMILES for 1-[fluoro(methyl)phosphoryl]oxyoctane is CCCCCCCCOP(C)(=O)F.
What is the InChIKey of 1-[fluoro(methyl)phosphoryl]oxyoctane?
The InChIKey is XAVFRYCJJPXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FO2P/c1-3-4-5-6-7-8-9-12-13(2,10)11/h3-9H2,1-2H3.
What are the key properties of 1-[fluoro(methyl)phosphoryl]oxyoctane?
1-[fluoro(methyl)phosphoryl]oxyoctane has a molecular weight of 210.23 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(methyl)phosphoryl]oxyoctane is sourced from PubChem (CID 567103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).