1-[fluoro(methyl)phosphoryl]oxyhexane

C7H16FO2P — CID 517986

IUPAC1-[fluoro(methyl)phosphoryl]oxyhexane
SMILESCCCCCCOP(C)(=O)F
InChIInChI=1S/C7H16FO2P/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3
InChIKeyIPRNMZIRVLGZQD-UHFFFAOYSA-N
MW182.17 g/mol
LogP3.38
Rot. Bonds6

About 1-[fluoro(methyl)phosphoryl]oxyhexane

1-[fluoro(methyl)phosphoryl]oxyhexane (PubChem CID 517986) has the molecular formula C7H16FO2P and a molecular weight of 182.17 g/mol. Its IUPAC name is 1-[fluoro(methyl)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[fluoro(methyl)phosphoryl]oxyhexane
PubChem CID517986
Molecular FormulaC7H16FO2P
Molecular Weight182.17 g/mol
Exact Mass182.09
IUPAC Name1-[fluoro(methyl)phosphoryl]oxyhexane
SMILESCCCCCCOP(C)(=O)F
InChIInChI=1S/C7H16FO2P/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3
InChIKeyIPRNMZIRVLGZQD-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(methyl)phosphoryl]oxyhexane?
The IUPAC name of 1-[fluoro(methyl)phosphoryl]oxyhexane (CID 517986) is 1-[fluoro(methyl)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[fluoro(methyl)phosphoryl]oxyhexane?
The canonical SMILES for 1-[fluoro(methyl)phosphoryl]oxyhexane is CCCCCCOP(C)(=O)F.
What is the InChIKey of 1-[fluoro(methyl)phosphoryl]oxyhexane?
The InChIKey is IPRNMZIRVLGZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FO2P/c1-3-4-5-6-7-10-11(2,8)9/h3-7H2,1-2H3.
What are the key properties of 1-[fluoro(methyl)phosphoryl]oxyhexane?
1-[fluoro(methyl)phosphoryl]oxyhexane has a molecular weight of 182.17 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(methyl)phosphoryl]oxyhexane is sourced from PubChem (CID 517986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).