2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene

C8H10BrF — CID 134404640

IUPAC2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene
SMILESCC1(C)CC=CC(Br)=C1F
InChIInChI=1S/C8H10BrF/c1-8(2)5-3-4-6(9)7(8)10/h3-4H,5H2,1-2H3
InChIKeyBRTUJRZSDVYVKC-UHFFFAOYSA-N
MW205.07 g/mol
LogP3.55
Rot. Bonds

About 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene

2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene (PubChem CID 134404640) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene
PubChem CID134404640
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene
SMILESCC1(C)CC=CC(Br)=C1F
InChIInChI=1S/C8H10BrF/c1-8(2)5-3-4-6(9)7(8)10/h3-4H,5H2,1-2H3
InChIKeyBRTUJRZSDVYVKC-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.07
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene?
The IUPAC name of 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene (CID 134404640) is 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene is CC1(C)CC=CC(Br)=C1F.
What is the InChIKey of 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene?
The InChIKey is BRTUJRZSDVYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF/c1-8(2)5-3-4-6(9)7(8)10/h3-4H,5H2,1-2H3.
What are the key properties of 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene?
2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene has a molecular weight of 205.07 g/mol, XLogP of 3.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-6,6-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 134404640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).