10-fluorodecyl 2-phosphanyloxypropanoate

C13H26FO3P — CID 19783989

IUPAC10-fluorodecyl 2-phosphanyloxypropanoate
SMILESCC(OP)C(=O)OCCCCCCCCCCF
InChIInChI=1S/C13H26FO3P/c1-12(17-18)13(15)16-11-9-7-5-3-2-4-6-8-10-14/h12H,2-11,18H2,1H3
InChIKeyJJSFELFCCJPCLS-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.82
Rot. Bonds12

About 10-fluorodecyl 2-phosphanyloxypropanoate

10-fluorodecyl 2-phosphanyloxypropanoate (PubChem CID 19783989) has the molecular formula C13H26FO3P and a molecular weight of 280.32 g/mol. Its IUPAC name is 10-fluorodecyl 2-phosphanyloxypropanoate.

Molecular Properties

Compound Name10-fluorodecyl 2-phosphanyloxypropanoate
PubChem CID19783989
Molecular FormulaC13H26FO3P
Molecular Weight280.32 g/mol
Exact Mass280.16
IUPAC Name10-fluorodecyl 2-phosphanyloxypropanoate
SMILESCC(OP)C(=O)OCCCCCCCCCCF
InChIInChI=1S/C13H26FO3P/c1-12(17-18)13(15)16-11-9-7-5-3-2-4-6-8-10-14/h12H,2-11,18H2,1H3
InChIKeyJJSFELFCCJPCLS-UHFFFAOYSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.82
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

hexyl 2-phosphanyloxypropanoate
CID 19783897
8-aminooctyl 2-methylpropanoate
CID 88886116
10-fluorodecyl 2-phosphanyloxyacetate
CID 19783933
6-methoxyhexyl 2-methylpropanoate
CID 135199835
16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
3-aminopropyl 2-methylpropanoate
CID 59078098
heptyl 2-ethoxypropanoate
CID 175702782
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
[(2S)-butan-2-yl] 3-fluoropropyl carbonate
CID 99769683
14-fluorotetradecyl prop-2-enoate
CID 142675259

Frequently Asked Questions

What is the IUPAC name of 10-fluorodecyl 2-phosphanyloxypropanoate?
The IUPAC name of 10-fluorodecyl 2-phosphanyloxypropanoate (CID 19783989) is 10-fluorodecyl 2-phosphanyloxypropanoate.
What is the SMILES notation for 10-fluorodecyl 2-phosphanyloxypropanoate?
The canonical SMILES for 10-fluorodecyl 2-phosphanyloxypropanoate is CC(OP)C(=O)OCCCCCCCCCCF.
What is the InChIKey of 10-fluorodecyl 2-phosphanyloxypropanoate?
The InChIKey is JJSFELFCCJPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FO3P/c1-12(17-18)13(15)16-11-9-7-5-3-2-4-6-8-10-14/h12H,2-11,18H2,1H3.
What are the key properties of 10-fluorodecyl 2-phosphanyloxypropanoate?
10-fluorodecyl 2-phosphanyloxypropanoate has a molecular weight of 280.32 g/mol, XLogP of 3.82, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluorodecyl 2-phosphanyloxypropanoate is sourced from PubChem (CID 19783989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).