10-fluorodecyl 2-phosphanyloxyacetate

C12H24FO3P — CID 19783933

IUPAC10-fluorodecyl 2-phosphanyloxyacetate
SMILESO=C(COP)OCCCCCCCCCCF
InChIInChI=1S/C12H24FO3P/c13-9-7-5-3-1-2-4-6-8-10-15-12(14)11-16-17/h1-11,17H2
InChIKeyVAOPUSOMEOBXAA-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.43
Rot. Bonds12

About 10-fluorodecyl 2-phosphanyloxyacetate

10-fluorodecyl 2-phosphanyloxyacetate (PubChem CID 19783933) has the molecular formula C12H24FO3P and a molecular weight of 266.29 g/mol. Its IUPAC name is 10-fluorodecyl 2-phosphanyloxyacetate.

Molecular Properties

Compound Name10-fluorodecyl 2-phosphanyloxyacetate
PubChem CID19783933
Molecular FormulaC12H24FO3P
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name10-fluorodecyl 2-phosphanyloxyacetate
SMILESO=C(COP)OCCCCCCCCCCF
InChIInChI=1S/C12H24FO3P/c13-9-7-5-3-1-2-4-6-8-10-15-12(14)11-16-17/h1-11,17H2
InChIKeyVAOPUSOMEOBXAA-UHFFFAOYSA-N
XLogP3.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.43
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

10-fluorodecyl 2-phosphanyloxypropanoate
CID 19783989
11-fluoroundecyl prop-2-enoate
CID 88673047
14-fluorotetradecyl prop-2-enoate
CID 142675259
2-[2-(7-fluoroheptoxy)-2-oxoethyl]-2-hydroxybutanedioic acid
CID 162199838
2-(12-fluorododecoxy)acetic acid
CID 21195352
6-(2-hydroperoxyacetyl)oxyhexyl 2-hydroxyacetate
CID 23599841
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
hexyl 2-(2-nonoxy-2-oxoethoxy)acetate
CID 91709730
tetradecyl 2-(2-oxo-2-tetradecoxyethoxy)acetate
CID 102048766
14-propanoyloxytetradecyl propanoate
CID 100931915
4-fluorobutyl (3S)-3-(aminomethyl)-5-methylhexanoate;hydrochloride
CID 122155511
4-O-(2-fluoroethyl) 1-O-(6-nonoxy-6-oxohexyl) butanedioate
CID 162775597

Frequently Asked Questions

What is the IUPAC name of 10-fluorodecyl 2-phosphanyloxyacetate?
The IUPAC name of 10-fluorodecyl 2-phosphanyloxyacetate (CID 19783933) is 10-fluorodecyl 2-phosphanyloxyacetate.
What is the SMILES notation for 10-fluorodecyl 2-phosphanyloxyacetate?
The canonical SMILES for 10-fluorodecyl 2-phosphanyloxyacetate is O=C(COP)OCCCCCCCCCCF.
What is the InChIKey of 10-fluorodecyl 2-phosphanyloxyacetate?
The InChIKey is VAOPUSOMEOBXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FO3P/c13-9-7-5-3-1-2-4-6-8-10-15-12(14)11-16-17/h1-11,17H2.
What are the key properties of 10-fluorodecyl 2-phosphanyloxyacetate?
10-fluorodecyl 2-phosphanyloxyacetate has a molecular weight of 266.29 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluorodecyl 2-phosphanyloxyacetate is sourced from PubChem (CID 19783933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).