7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene

C9H10BrF — CID 123508174

IUPAC7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene
SMILESFC1=CCC(CBr)C=CC=C1
InChIInChI=1S/C9H10BrF/c10-7-8-3-1-2-4-9(11)6-5-8/h1-4,6,8H,5,7H2
InChIKeyQYNYWADEOSKZCX-UHFFFAOYSA-N
MW217.08 g/mol
LogP3.37
Rot. Bonds1

About 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene

7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene (PubChem CID 123508174) has the molecular formula C9H10BrF and a molecular weight of 217.08 g/mol. Its IUPAC name is 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene.

Molecular Properties

Compound Name7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene
PubChem CID123508174
Molecular FormulaC9H10BrF
Molecular Weight217.08 g/mol
Exact Mass215.99
IUPAC Name7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene
SMILESFC1=CCC(CBr)C=CC=C1
InChIInChI=1S/C9H10BrF/c10-7-8-3-1-2-4-9(11)6-5-8/h1-4,6,8H,5,7H2
InChIKeyQYNYWADEOSKZCX-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.08
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methylcyclohexa-1,3-diene;hydroiodide
CID 143792431
(NE)-N-[[(1Z,5Z,7Z)-4-ethylcycloocta-1,5,7-trien-1-yl]methylidene]hydroxylamine
CID 170152478
ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene
CID 145198191
2-[(4-fluorocyclohexa-2,4-dien-1-yl)methoxy]ethyl-trimethylsilane
CID 171778876
2-fluoro-6-methylcyclohexa-1,3-diene
CID 19795139
5-[2-(4-fluorocyclohexa-2,4-dien-1-yl)ethyl]-1H-imidazole
CID 173196501
2-(cyclohexa-2,4-dien-1-ylmethyl)-5-fluoropyrimidine
CID 175959392
2-bromo-5-[(4-bromocyclohexa-1,5-dien-1-yl)methyl]cyclohexa-1,3-diene
CID 123899170
5-fluoro-2-(3-methylbutyl)cyclohexa-1,3-diene
CID 20781079
ethane;4-[(4-fluoro-7-methylcyclohepta-2,4-dien-1-yl)iminomethyl]phenol
CID 143251555
1,2,3,10a-tetrahydrobenzo[8]annulene
CID 131884681
5-fluoro-2-propylcyclohexa-1,3-diene
CID 123958861

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene?
The IUPAC name of 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene (CID 123508174) is 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene.
What is the SMILES notation for 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene?
The canonical SMILES for 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene is FC1=CCC(CBr)C=CC=C1.
What is the InChIKey of 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene?
The InChIKey is QYNYWADEOSKZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF/c10-7-8-3-1-2-4-9(11)6-5-8/h1-4,6,8H,5,7H2.
What are the key properties of 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene?
7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene has a molecular weight of 217.08 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(bromomethyl)-2-fluorocycloocta-1,3,5-triene is sourced from PubChem (CID 123508174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).