1-[ethyl(fluoro)phosphoryl]oxyhexane

C8H18FO2P — CID 518781

IUPAC1-[ethyl(fluoro)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(F)CC
InChIInChI=1S/C8H18FO2P/c1-3-5-6-7-8-11-12(9,10)4-2/h3-8H2,1-2H3
InChIKeyZYXRWBNFAGZKON-UHFFFAOYSA-N
MW196.20 g/mol
LogP3.77
Rot. Bonds7

About 1-[ethyl(fluoro)phosphoryl]oxyhexane

1-[ethyl(fluoro)phosphoryl]oxyhexane (PubChem CID 518781) has the molecular formula C8H18FO2P and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-[ethyl(fluoro)phosphoryl]oxyhexane.

Molecular Properties

Compound Name1-[ethyl(fluoro)phosphoryl]oxyhexane
PubChem CID518781
Molecular FormulaC8H18FO2P
Molecular Weight196.20 g/mol
Exact Mass196.10
IUPAC Name1-[ethyl(fluoro)phosphoryl]oxyhexane
SMILESCCCCCCOP(=O)(F)CC
InChIInChI=1S/C8H18FO2P/c1-3-5-6-7-8-11-12(9,10)4-2/h3-8H2,1-2H3
InChIKeyZYXRWBNFAGZKON-UHFFFAOYSA-N
XLogP3.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 53.77
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-[ethyl(fluoro)phosphoryl]oxyhexane?
The IUPAC name of 1-[ethyl(fluoro)phosphoryl]oxyhexane (CID 518781) is 1-[ethyl(fluoro)phosphoryl]oxyhexane.
What is the SMILES notation for 1-[ethyl(fluoro)phosphoryl]oxyhexane?
The canonical SMILES for 1-[ethyl(fluoro)phosphoryl]oxyhexane is CCCCCCOP(=O)(F)CC.
What is the InChIKey of 1-[ethyl(fluoro)phosphoryl]oxyhexane?
The InChIKey is ZYXRWBNFAGZKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO2P/c1-3-5-6-7-8-11-12(9,10)4-2/h3-8H2,1-2H3.
What are the key properties of 1-[ethyl(fluoro)phosphoryl]oxyhexane?
1-[ethyl(fluoro)phosphoryl]oxyhexane has a molecular weight of 196.20 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(fluoro)phosphoryl]oxyhexane is sourced from PubChem (CID 518781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).