2-Fluorohexanoic acid
Basic information
- CAS
1578-57-0- Standard SMILES
CCCCC(F)C(=O)O- InChIKey
CDWPBSAPAJJTHA-UHFFFAOYSA-N- Molecular formula
- C6H11FO2
- Average molar mass
- 134.15 g/mol
- Monoisotopic mass
- 134.07430775
Names & identifiers
- Preferred name
- 2-Fluorohexanoic acid
- IUPAC
- 2-fluorohexanoic acid
Names & synonyms
2-Fluorohexanoic acid1578-57-0Hexanoic acid, 2-fluoro-fluorohexanoic acid2-Fluorohexanoicacid2-fluoro-hexanoic acidSCHEMBL1706462SCHEMBL6871016CDWPBSAPAJJTHA-UHFFFAOYSA-NBAA57857NSC84355CCG-40483
Show more names
NSC 84355NSC-84355AKOS006381625EN300-1218300F541883F2147-5512
Database identifiers
- CAS
1578-57-0- PubChem CID
- 98165
- EC Number
- 161-632-1
- Nikkaji
- J132.267B
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 93.1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
3 records
Compound notes
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