(E)-7-bromo-1-fluorohept-3-ene

C7H12BrF — CID 155605858

IUPAC(E)-7-bromo-1-fluorohept-3-ene
SMILESFCC/C=C/CCCBr
InChIInChI=1S/C7H12BrF/c8-6-4-2-1-3-5-7-9/h1,3H,2,4-7H2/b3-1+
InChIKeyGVPGSTGSONESAN-HNQUOIGGSA-N
MW195.07 g/mol
LogP3.08
Rot. Bonds5

About (E)-7-bromo-1-fluorohept-3-ene

(E)-7-bromo-1-fluorohept-3-ene (PubChem CID 155605858) has the molecular formula C7H12BrF and a molecular weight of 195.07 g/mol. Its IUPAC name is (E)-7-bromo-1-fluorohept-3-ene.

Molecular Properties

Compound Name(E)-7-bromo-1-fluorohept-3-ene
PubChem CID155605858
Molecular FormulaC7H12BrF
Molecular Weight195.07 g/mol
Exact Mass194.01
IUPAC Name(E)-7-bromo-1-fluorohept-3-ene
SMILESFCC/C=C/CCCBr
InChIInChI=1S/C7H12BrF/c8-6-4-2-1-3-5-7-9/h1,3H,2,4-7H2/b3-1+
InChIKeyGVPGSTGSONESAN-HNQUOIGGSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

1,25-dibromopentacos-12-ene
CID 168864699
(E)-7-bromohept-3-en-1-ol
CID 163205000
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CID 171472345
1,7-dibromohept-2-ene
CID 171472304
(18Z)-22-bromodocosa-3,6,9,12,15,18-hexaene
CID 86759790
1,12-dibromododec-2-ene
CID 54440565
(E)-1-bromoundec-5-ene
CID 13044969
7-bromohept-2-en-1-ol
CID 85361103
(3Z,5E)-9-bromonona-3,5-diene
CID 131242086
(Z)-12-bromododec-3-en-1-ol
CID 163205087
5-bromo-N-methylpent-1-en-1-amine
CID 174678209
(E)-17-bromoheptadec-3-en-1-ol
CID 163204836

Frequently Asked Questions

What is the IUPAC name of (E)-7-bromo-1-fluorohept-3-ene?
The IUPAC name of (E)-7-bromo-1-fluorohept-3-ene (CID 155605858) is (E)-7-bromo-1-fluorohept-3-ene.
What is the SMILES notation for (E)-7-bromo-1-fluorohept-3-ene?
The canonical SMILES for (E)-7-bromo-1-fluorohept-3-ene is FCC/C=C/CCCBr.
What is the InChIKey of (E)-7-bromo-1-fluorohept-3-ene?
The InChIKey is GVPGSTGSONESAN-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H12BrF/c8-6-4-2-1-3-5-7-9/h1,3H,2,4-7H2/b3-1+.
What are the key properties of (E)-7-bromo-1-fluorohept-3-ene?
(E)-7-bromo-1-fluorohept-3-ene has a molecular weight of 195.07 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-bromo-1-fluorohept-3-ene is sourced from PubChem (CID 155605858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).