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Butyric acid, 4-fluoro-, 2-fluoroethyl ester

HCID 9730
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
371-29-9
Standard SMILES
O=C(CCCF)OCCF
InChIKey
QNCFYCXLBKFOLB-UHFFFAOYSA-N
Molecular formula
C6H10F2O2
Average molar mass
152.14 g/mol
Monoisotopic mass
152.06488588

Names & identifiers

Preferred name
Butyric acid, 4-fluoro-, 2-fluoroethyl ester
IUPAC
2-fluoroethyl 4-fluorobutanoate
English name
4-Fluorobutyric acid 2-fluoroethyl ester
Molecular weight
0

Names & synonyms

2-Fluoroethyl gamma-fluorobutyrate371-29-9TL 1127BUTYRIC ACID, 4-FLUORO-, 2-FLUOROETHYL ESTERbeta-Fluoroethyl gamma-fluorobutyrateBRN 1756085DTXSID601905923-02-00-00621 (Beilstein Handbook Reference)RefChem:331329DTXCID001130832-fluoroethyl 4-fluorobutanoateSCHEMBL31504176
Show more names
4-Fluorobutyric acid 2-fluoroethyl ester

Database identifiers

CAS
371-29-9
PubChem CID
9730
DTXSID
DTXSID60190592
Nikkaji
J42.915E

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
10
Formal charge
0
Complexity
95.7

Physicochemical properties

Density
1.1116 · 1.1116 (estimate)

Related reactions

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Compound notes

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