2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene

C8H10BrF — CID 123158410

IUPAC2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene
SMILESCC1C=C(CBr)C=CC1F
InChIInChI=1S/C8H10BrF/c1-6-4-7(5-9)2-3-8(6)10/h2-4,6,8H,5H2,1H3
InChIKeyIHICLTKSRLZZGR-UHFFFAOYSA-N
MW205.07 g/mol
LogP2.85
Rot. Bonds1

About 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene

2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene (PubChem CID 123158410) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene
PubChem CID123158410
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene
SMILESCC1C=C(CBr)C=CC1F
InChIInChI=1S/C8H10BrF/c1-6-4-7(5-9)2-3-8(6)10/h2-4,6,8H,5H2,1H3
InChIKeyIHICLTKSRLZZGR-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-2-fluorostyrene
CID 139947640
4-Brom-p-xylol
CID 21285705
5-Bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
CID 23056494
5-[(E)-3-bromoprop-1-enyl]-2-fluorocyclohexa-1,3-diene
CID 23150785
6-(Bromomethyl)-5-fluoro-5-methylcyclohexa-1,3-diene
CID 53429880
1-(Bromomethyl)-5-fluoro-5-methylcyclohexa-1,3-diene
CID 66670671
1-Fluoro-2,6-dimethylcyclohexa-1,3-diene
CID 67557907
5-Bromo-1-fluoro-5-methylcyclohexa-1,3-diene
CID 69796830
(5R)-2-(fluoromethyl)-5-methylcyclohexa-1,3-diene
CID 70214531
3-(1-bromoethyl)-1-fluoro-6-[(1R)-1-fluoroethyl]cyclohexa-1,3-diene
CID 70266486
(5S)-1-fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 70325778
1-Fluoro-2,5-dimethylcyclohexa-1,3-diene
CID 77823904

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene?
The IUPAC name of 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene (CID 123158410) is 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene.
What is the SMILES notation for 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene?
The canonical SMILES for 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene is CC1C=C(CBr)C=CC1F.
What is the InChIKey of 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene?
The InChIKey is IHICLTKSRLZZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF/c1-6-4-7(5-9)2-3-8(6)10/h2-4,6,8H,5H2,1H3.
What are the key properties of 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene?
2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene has a molecular weight of 205.07 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-fluoro-6-methylcyclohexa-1,3-diene is sourced from PubChem (CID 123158410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).