1-[ethyl(fluoro)phosphoryl]oxyheptane

C9H20FO2P — CID 519229

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

About 1-[ethyl(fluoro)phosphoryl]oxyheptane

1-[ethyl(fluoro)phosphoryl]oxyheptane (PubChem CID 519229) has the molecular formula C9H20FO2P and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxyheptane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxyheptane
PubChem CID519229
Molecular FormulaC9H20FO2P
Molecular Weight210.23 g/mol
Exact Mass210.12
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxyheptane
SMILESCCCCCCCOP(=O)(F)CC
InChIInChI=1S/C9H20FO2P/c1-3-5-6-7-8-9-12-13(10,11)4-2/h3-9H2,1-2H3
InChIKeyCQXIORRIIAXLOU-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'}

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Related Compounds

Ethyl octylphosphonofluoridate
CID 21080074
Hexyl ethylphosphonofluoridate
CID 518781
Phosphonic acid, methyl-, dihexyl ester
CID 522658
Diheptyl ethylphosphonate
CID 280852
Pentyl ethylphosphonofluoridate
CID 519228
Ethyl hexyl methylphosphonate
CID 13201425
O-hexyl methylfluorophosphonate
CID 129760100
Dihexyl ethylphosphonate
CID 573831
1-[Butyl(fluoro)phosphoryl]oxyhexadecane
CID 156596334
Hexyl(octoxy)phosphinic acid
CID 139679739
n-Octyl methylphosphonofluoridate
CID 567103
Hexyl methyl ethylphosphonate
CID 580575

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxyheptane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxyheptane (CID 519229) is 1-[ethyl(fluoro)phosphoryl]oxyheptane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxyheptane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxyheptane is CCCCCCCOP(=O)(F)CC.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxyheptane?
The InChIKey is CQXIORRIIAXLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FO2P/c1-3-5-6-7-8-9-12-13(10,11)4-2/h3-9H2,1-2H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxyheptane?
1-[ethyl(fluoro)phosphoryl]oxyheptane 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-[ethyl(fluoro)phosphoryl]oxyheptane is sourced from PubChem (CID 519229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).