Hexadecanoic acid, 16-fluoro-, ethyl ester
Basic information
- CAS
408-07-1- Standard SMILES
CCOC(=O)CCCCCCCCCCCCCCCF- InChIKey
NJHLYKCEFTYADU-UHFFFAOYSA-N- Molecular formula
- C18H35FO2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.26210852
Names & identifiers
- Preferred name
- Hexadecanoic acid, 16-fluoro-, ethyl ester
- IUPAC
- ethyl 16-fluorohexadecanoate
- English name
- 16-Fluorohexadecanoic acid ethyl ester
- Molecular formula
- C18H35FO2
- Molecular weight
- 302.47
Names & synonyms
Ethyl 16-fluorohexadecanoate408-07-1BRN 1789807HEXADECANOIC ACID, 16-FLUORO-, ETHYL ESTERDTXSID401937834-02-00-01184 (Beilstein Handbook Reference)RefChem:347451DTXCID8011627416-Fluorohexadecanoic acid ethyl ester
Database identifiers
- CAS
408-07-1- PubChem CID
- 9851
- DTXSID
DTXSID40193783- Nikkaji
- J49.379A
Properties
Computed structural properties
- XLogP
- 7.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Boiling point
- 363.9 · 363.9±7.0 °C(Predicted)
- Density
- 0.904 · 0.904±0.06 g/cm3(Predicted)
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Compound notes
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