Basic information
- CAS
408-37-7- Standard SMILES
O=C(O)CCCCCCCCCCCCCCCCCF- InChIKey
GYUYQQCJINXTSG-UHFFFAOYSA-N- Molecular formula
- C18H35FO2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.26210852
Names & identifiers
- Preferred name
- Octadecanoic acid, 18-fluoro-
- IUPAC
- 18-fluorooctadecanoic acid
- English name
- 18-Fluorooctadecanoic acid
- Molecular formula
- C18H35FO2
- Molecular weight
- 302.47
Names & synonyms
18-Fluorooctadecanoic acidOCTADECANOIC ACID, 18-FLUORO-omega-Fluorostearic acidomega-Fluorooctadecanoic acid18-fluoro-octadecanoic acidBRN 1789810DTXSID001937894-02-00-01242 (Beilstein Handbook Reference)18-Fluoro-octadecanoateRefChem:167627DTXCID90116280408-37-7
Show more names
18-fluorostearic acidstarbld0045471SCHEMBL10004661LMFA01090045Octadecanoic acid, 18-fluoro- (6CI, 7CI, 8CI, 9CI, ACI)
Database identifiers
- CAS
408-37-7- PubChem CID
- 9858
- DTXSID
DTXSID00193789- Nikkaji
- J49.355D
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Halogenated fatty acids [FA0109]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…