(2-fluoro-3-hydroxypropyl) tetradecanoate

C17H33FO3 — CID 57310752

IUPAC(2-fluoro-3-hydroxypropyl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(F)CO
InChIInChI=1S/C17H33FO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(18)14-19/h16,19H,2-15H2,1H3
InChIKeyUQAXVQFTLJQLAQ-UHFFFAOYSA-N
MW304.45 g/mol
LogP4.56
Rot. Bonds15

About (2-fluoro-3-hydroxypropyl) tetradecanoate

(2-fluoro-3-hydroxypropyl) tetradecanoate (PubChem CID 57310752) has the molecular formula C17H33FO3 and a molecular weight of 304.45 g/mol. Its IUPAC name is (2-fluoro-3-hydroxypropyl) tetradecanoate.

Molecular Properties

Compound Name(2-fluoro-3-hydroxypropyl) tetradecanoate
PubChem CID57310752
Molecular FormulaC17H33FO3
Molecular Weight304.45 g/mol
Exact Mass304.24
IUPAC Name(2-fluoro-3-hydroxypropyl) tetradecanoate
SMILESCCCCCCCCCCCCCC(=O)OCC(F)CO
InChIInChI=1S/C17H33FO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(18)14-19/h16,19H,2-15H2,1H3
InChIKeyUQAXVQFTLJQLAQ-UHFFFAOYSA-N
XLogP4.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
[3-heptanoyloxy-2-(heptanoyloxymethyl)propyl] heptanoate
CID 102240307
2,3-dihydroxypropyl dodecanoate;ethanol
CID 158629488
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2-hydroxybutyl dodecanoate
CID 22965532
[(2S)-3-decanoyloxy-2-hydroxypropyl] nonadecanoate
CID 131799324
[(2S)-2-hydroxy-3-pentadecanoyloxypropyl] icosanoate
CID 131802658

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-hydroxypropyl) tetradecanoate?
The IUPAC name of (2-fluoro-3-hydroxypropyl) tetradecanoate (CID 57310752) is (2-fluoro-3-hydroxypropyl) tetradecanoate.
What is the SMILES notation for (2-fluoro-3-hydroxypropyl) tetradecanoate?
The canonical SMILES for (2-fluoro-3-hydroxypropyl) tetradecanoate is CCCCCCCCCCCCCC(=O)OCC(F)CO.
What is the InChIKey of (2-fluoro-3-hydroxypropyl) tetradecanoate?
The InChIKey is UQAXVQFTLJQLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(18)14-19/h16,19H,2-15H2,1H3.
What are the key properties of (2-fluoro-3-hydroxypropyl) tetradecanoate?
(2-fluoro-3-hydroxypropyl) tetradecanoate has a molecular weight of 304.45 g/mol, XLogP of 4.56, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-hydroxypropyl) tetradecanoate is sourced from PubChem (CID 57310752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).