decan-2-yl fluoro hydrogen phosphate

C10H22FO4P — CID 175171865

IUPACdecan-2-yl fluoro hydrogen phosphate
SMILESCCCCCCCCC(C)OP(=O)(O)OF
InChIInChI=1S/C10H22FO4P/c1-3-4-5-6-7-8-9-10(2)14-16(12,13)15-11/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyFHOSLLUFDPPTPA-UHFFFAOYSA-N
MW256.25 g/mol
LogP4.14
Rot. Bonds10

About decan-2-yl fluoro hydrogen phosphate

decan-2-yl fluoro hydrogen phosphate (PubChem CID 175171865) has the molecular formula C10H22FO4P and a molecular weight of 256.25 g/mol. Its IUPAC name is decan-2-yl fluoro hydrogen phosphate.

Molecular Properties

Compound Namedecan-2-yl fluoro hydrogen phosphate
PubChem CID175171865
Molecular FormulaC10H22FO4P
Molecular Weight256.25 g/mol
Exact Mass256.12
IUPAC Namedecan-2-yl fluoro hydrogen phosphate
SMILESCCCCCCCCC(C)OP(=O)(O)OF
InChIInChI=1S/C10H22FO4P/c1-3-4-5-6-7-8-9-10(2)14-16(12,13)15-11/h10H,3-9H2,1-2H3,(H,12,13)
InChIKeyFHOSLLUFDPPTPA-UHFFFAOYSA-N
XLogP4.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
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

2-hexyloctyl octan-2-yl hydrogen phosphate
CID 139608562
2-[hydroxy(octadecan-2-yloxy)phosphoryl]oxyethyl-trimethylazanium
CID 174758014
octan-2-yloxy(propyl)phosphinic acid
CID 87194607
nonadecan-2-yl phosphate
CID 21219886
2-[ethyl(octan-2-yloxy)phosphoryl]oxyoctane
CID 170850980
2-[octan-2-yl(octan-2-yloxy)phosphoryl]oxyoctane
CID 88710365
dioctan-2-yl phosphate;iron(2+)
CID 157379729
dipotassium;tridecan-2-yl phosphate
CID 139671549
tris(dioctan-2-yl phosphate);neodymium(3+)
CID 22237881
decan-2-yloxy(methyl)phosphinate
CID 170850603
didecan-3-yl hydrogen phosphate
CID 22497654
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249

Frequently Asked Questions

What is the IUPAC name of decan-2-yl fluoro hydrogen phosphate?
The IUPAC name of decan-2-yl fluoro hydrogen phosphate (CID 175171865) is decan-2-yl fluoro hydrogen phosphate.
What is the SMILES notation for decan-2-yl fluoro hydrogen phosphate?
The canonical SMILES for decan-2-yl fluoro hydrogen phosphate is CCCCCCCCC(C)OP(=O)(O)OF.
What is the InChIKey of decan-2-yl fluoro hydrogen phosphate?
The InChIKey is FHOSLLUFDPPTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FO4P/c1-3-4-5-6-7-8-9-10(2)14-16(12,13)15-11/h10H,3-9H2,1-2H3,(H,12,13).
What are the key properties of decan-2-yl fluoro hydrogen phosphate?
decan-2-yl fluoro hydrogen phosphate has a molecular weight of 256.25 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for decan-2-yl fluoro hydrogen phosphate is sourced from PubChem (CID 175171865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).