[(E)-2-bromo-1-fluorodec-4-enyl] acetate

C12H20BrFO2 — CID 15210801

IUPAC[(E)-2-bromo-1-fluorodec-4-enyl] acetate
SMILESCCCCC/C=C/CC(Br)C(F)OC(C)=O
InChIInChI=1S/C12H20BrFO2/c1-3-4-5-6-7-8-9-11(13)12(14)16-10(2)15/h7-8,11-12H,3-6,9H2,1-2H3/b8-7+
InChIKeyAMWHFYHKBKPPPV-BQYQJAHWSA-N
MW295.19 g/mol
LogP4.14
Rot. Bonds8

About [(E)-2-bromo-1-fluorodec-4-enyl] acetate

[(E)-2-bromo-1-fluorodec-4-enyl] acetate (PubChem CID 15210801) has the molecular formula C12H20BrFO2 and a molecular weight of 295.19 g/mol. Its IUPAC name is [(E)-2-bromo-1-fluorodec-4-enyl] acetate.

Molecular Properties

Compound Name[(E)-2-bromo-1-fluorodec-4-enyl] acetate
PubChem CID15210801
Molecular FormulaC12H20BrFO2
Molecular Weight295.19 g/mol
Exact Mass294.06
IUPAC Name[(E)-2-bromo-1-fluorodec-4-enyl] acetate
SMILESCCCCC/C=C/CC(Br)C(F)OC(C)=O
InChIInChI=1S/C12H20BrFO2/c1-3-4-5-6-7-8-9-11(13)12(14)16-10(2)15/h7-8,11-12H,3-6,9H2,1-2H3/b8-7+
InChIKeyAMWHFYHKBKPPPV-BQYQJAHWSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-Bromo-(z)-5-nonenyl acetate
CID 15705027
[(E)-1-fluorodec-4-enyl] acetate
CID 15210800
[(1S,2R)-2-bromo-3-fluorocyclohex-3-en-1-yl] acetate
CID 71662880
[(Z)-2-bromo-1-fluorododec-9-enyl] acetate
CID 101921504
[(E)-10-bromodec-5-enyl] acetate
CID 23434871
[(E)-8-bromooct-5-enyl] acetate
CID 23434881
10-Bromodec-5-enyl acetate
CID 74052925
8-Bromo-5-octenyl acetate
CID 74052931
[(Z)-dodec-6-enyl] 2-bromoacetate
CID 141739917
3-bromopropyl (Z)-dec-3-enoate
CID 142498877
[(E)-10-bromodec-7-enyl] acetate
CID 146314946
10-Bromodec-7-enyl acetate
CID 153320364

Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromo-1-fluorodec-4-enyl] acetate?
The IUPAC name of [(E)-2-bromo-1-fluorodec-4-enyl] acetate (CID 15210801) is [(E)-2-bromo-1-fluorodec-4-enyl] acetate.
What is the SMILES notation for [(E)-2-bromo-1-fluorodec-4-enyl] acetate?
The canonical SMILES for [(E)-2-bromo-1-fluorodec-4-enyl] acetate is CCCCC/C=C/CC(Br)C(F)OC(C)=O.
What is the InChIKey of [(E)-2-bromo-1-fluorodec-4-enyl] acetate?
The InChIKey is AMWHFYHKBKPPPV-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H20BrFO2/c1-3-4-5-6-7-8-9-11(13)12(14)16-10(2)15/h7-8,11-12H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of [(E)-2-bromo-1-fluorodec-4-enyl] acetate?
[(E)-2-bromo-1-fluorodec-4-enyl] acetate has a molecular weight of 295.19 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-bromo-1-fluorodec-4-enyl] acetate is sourced from PubChem (CID 15210801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).