14-Fluoro-6-thiaheptadecanoic acid
Basic information
- CAS
138225-06-6- Standard SMILES
CCCC(F)CCCCCCCSCCCCC(=O)O- InChIKey
WZMTZBLNUCAEPM-UHFFFAOYSA-N- Molecular formula
- C16H31FO2S
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.20287956
Overview
14-Fluoro-6-thiaheptadecanoic acid is a halo fatty acid.
Names & identifiers
- Preferred name
- 14-Fluoro-6-thiaheptadecanoic acid
- IUPAC
- 5-(8-fluoroundecylsulfanyl)pentanoic acid
- English name
- 14-fluoro-6-thiaheptadecanoic acid
- Molecular weight
- 0
Names & synonyms
14-Fluoro-6-thiaheptadecanoic acid138225-06-6FTHARefChem:786265-(8-fluoroundecylsulfanyl)pentanoic acid137564-72-814(R,S)-FLUORO-6-THIAHEPTADECANOIC ACID172486-20-35-((8-Fluoroundecyl)thio)pentanoic acid5-[(8-Fluoroundecyl)thio]pentanoic AcidPentanoic acid, 5-((8-(fluoro-18F)undecyl)thio)-, (+-)-5-[(8-FLUOROUNDECYL)SULFANYL]PENTANOIC ACID
Show more names
SCHEMBL29352964DTXSID70930027CHEBI:23083514-fluoro-6-thia-heptadecanoic acidMFCD080614335-(8-luoroundecylsulanyl)pentanoic acidSY357729
Database identifiers
- CAS
138225-06-6- PubChem CID
- 132136
- DTXSID
DTXSID70930027- ChEBI
CHEBI:230835- Nikkaji
- J2.115.505E
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 225
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Related reactions
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Compound notes
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