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Ethyl 5-fluorohexanoate

HCID 44671
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Basic information

CAS
63765-77-5
Standard SMILES
CCOC(=O)CCCC(C)F
InChIKey
NPPLOQPYSBIGSI-UHFFFAOYSA-N
Molecular formula
C8H15FO2
Average molar mass
162.2 g/mol
Monoisotopic mass
162.10560788

Names & identifiers

Preferred name
Ethyl 5-fluorohexanoate
IUPAC
ethyl 5-fluorohexanoate
English name
5-Fluorohexanoic acid ethyl ester
Molecular formula
C8H15FO2
Molecular weight
162.2

Names & synonyms

Ethyl 5-fluorohexanoate63765-77-5DTXSID40980296RefChem:1084981DTXCID201407574HEXANOIC ACID, 5-FLUORO-, ETHYL ESTER5-Fluorohexanoic acid ethyl esterDB-317687

Database identifiers

CAS
63765-77-5
PubChem CID
44671
DTXSID
DTXSID40980296
Nikkaji
J73.714C

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
11
Formal charge
0
Complexity
115

Related reactions

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Compound notes

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