5-[fluoro(propyl)phosphoryl]oxynonane

C12H26FO2P — CID 170850723

IUPAC5-[fluoro(propyl)phosphoryl]oxynonane
SMILESCCCCC(CCCC)OP(=O)(F)CCC
InChIInChI=1S/C12H26FO2P/c1-4-7-9-12(10-8-5-2)15-16(13,14)11-6-3/h12H,4-11H2,1-3H3
InChIKeyVHMSLZZXJYXJOV-UHFFFAOYSA-N
MW252.31 g/mol
LogP5.32
Rot. Bonds10

About 5-[fluoro(propyl)phosphoryl]oxynonane

5-[fluoro(propyl)phosphoryl]oxynonane (PubChem CID 170850723) has the molecular formula C12H26FO2P and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[fluoro(propyl)phosphoryl]oxynonane.

Molecular Properties

Compound Name5-[fluoro(propyl)phosphoryl]oxynonane
PubChem CID170850723
Molecular FormulaC12H26FO2P
Molecular Weight252.31 g/mol
Exact Mass252.17
IUPAC Name5-[fluoro(propyl)phosphoryl]oxynonane
SMILESCCCCC(CCCC)OP(=O)(F)CCC
InChIInChI=1S/C12H26FO2P/c1-4-7-9-12(10-8-5-2)15-16(13,14)11-6-3/h12H,4-11H2,1-3H3
InChIKeyVHMSLZZXJYXJOV-UHFFFAOYSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.31
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

triheptatriacontan-19-yl phosphate
CID 87670645
azane;decan-5-yl dihydrogen phosphate
CID 88685768
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
1-hydroxypropyl(octan-4-yloxy)phosphinic acid
CID 88818158
ethenyl(octan-4-yloxy)phosphinic acid
CID 88822160
nonan-5-yl octadecyl hydrogen phosphate
CID 89345208
nonan-5-yl hypofluorite
CID 174958722
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
henicosan-4-yl dihydrogen phosphate
CID 175269897
trioctan-3-yl phosphate
CID 22497520
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263

Frequently Asked Questions

What is the IUPAC name of 5-[fluoro(propyl)phosphoryl]oxynonane?
The IUPAC name of 5-[fluoro(propyl)phosphoryl]oxynonane (CID 170850723) is 5-[fluoro(propyl)phosphoryl]oxynonane.
What is the SMILES notation for 5-[fluoro(propyl)phosphoryl]oxynonane?
The canonical SMILES for 5-[fluoro(propyl)phosphoryl]oxynonane is CCCCC(CCCC)OP(=O)(F)CCC.
What is the InChIKey of 5-[fluoro(propyl)phosphoryl]oxynonane?
The InChIKey is VHMSLZZXJYXJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26FO2P/c1-4-7-9-12(10-8-5-2)15-16(13,14)11-6-3/h12H,4-11H2,1-3H3.
What are the key properties of 5-[fluoro(propyl)phosphoryl]oxynonane?
5-[fluoro(propyl)phosphoryl]oxynonane has a molecular weight of 252.31 g/mol, XLogP of 5.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[fluoro(propyl)phosphoryl]oxynonane is sourced from PubChem (CID 170850723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).