1-[butoxy(fluoro)phosphoryl]oxybutane

C8H18FO3P — CID 13025172

IUPAC1-[butoxy(fluoro)phosphoryl]oxybutane
SMILESCCCCOP(=O)(F)OCCCC
InChIInChI=1S/C8H18FO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3
InChIKeyCXGTZNAKCDDKEN-UHFFFAOYSA-N
MW212.20 g/mol
LogP3.70
Rot. Bonds8

About 1-[butoxy(fluoro)phosphoryl]oxybutane

1-[butoxy(fluoro)phosphoryl]oxybutane (PubChem CID 13025172) has the molecular formula C8H18FO3P and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-[butoxy(fluoro)phosphoryl]oxybutane.

Molecular Properties

Compound Name1-[butoxy(fluoro)phosphoryl]oxybutane
PubChem CID13025172
Molecular FormulaC8H18FO3P
Molecular Weight212.20 g/mol
Exact Mass212.10
IUPAC Name1-[butoxy(fluoro)phosphoryl]oxybutane
SMILESCCCCOP(=O)(F)OCCCC
InChIInChI=1S/C8H18FO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3
InChIKeyCXGTZNAKCDDKEN-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Tributyl Phosphate
CID 31357
Dibutyl hydrogen phosphite
CID 6327349
Dibutyl phosphate
CID 7881
Dibutyl butylphosphonate
CID 6539
Tripropyl phosphate
CID 10546
Dibutyl propylphosphonate
CID 99440
Phosphoric acid, butyl diethyl ester
CID 75956
Dibutyl methylphosphonate
CID 16994
Phosphoric acid, dibutyl ester, sodium salt (1:1)
CID 23678411
Phosphoric acid, dibutyl ester, potassium salt (1:1)
CID 23672341
Phosphoric acid, dibutyl methyl ester
CID 81655
Phosphorochloridic acid, dibutyl ester
CID 94784

Frequently Asked Questions

What is the IUPAC name of 1-[butoxy(fluoro)phosphoryl]oxybutane?
The IUPAC name of 1-[butoxy(fluoro)phosphoryl]oxybutane (CID 13025172) is 1-[butoxy(fluoro)phosphoryl]oxybutane.
What is the SMILES notation for 1-[butoxy(fluoro)phosphoryl]oxybutane?
The canonical SMILES for 1-[butoxy(fluoro)phosphoryl]oxybutane is CCCCOP(=O)(F)OCCCC.
What is the InChIKey of 1-[butoxy(fluoro)phosphoryl]oxybutane?
The InChIKey is CXGTZNAKCDDKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FO3P/c1-3-5-7-11-13(9,10)12-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1-[butoxy(fluoro)phosphoryl]oxybutane?
1-[butoxy(fluoro)phosphoryl]oxybutane has a molecular weight of 212.20 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butoxy(fluoro)phosphoryl]oxybutane is sourced from PubChem (CID 13025172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).