3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene

C8H10BrF — CID 134426487

IUPAC3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene
SMILESCC1(C)C=C(Br)C=C(F)C1
InChIInChI=1S/C8H10BrF/c1-8(2)4-6(9)3-7(10)5-8/h3-4H,5H2,1-2H3
InChIKeyNJLCMDWFPRPTQC-UHFFFAOYSA-N
MW205.07 g/mol
LogP3.55
Rot. Bonds

About 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene

3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene (PubChem CID 134426487) has the molecular formula C8H10BrF and a molecular weight of 205.07 g/mol. Its IUPAC name is 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene
PubChem CID134426487
Molecular FormulaC8H10BrF
Molecular Weight205.07 g/mol
Exact Mass203.99
IUPAC Name3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene
SMILESCC1(C)C=C(Br)C=C(F)C1
InChIInChI=1S/C8H10BrF/c1-8(2)4-6(9)3-7(10)5-8/h3-4H,5H2,1-2H3
InChIKeyNJLCMDWFPRPTQC-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 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene?
The IUPAC name of 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene (CID 134426487) is 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene.
What is the SMILES notation for 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene?
The canonical SMILES for 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene is CC1(C)C=C(Br)C=C(F)C1.
What is the InChIKey of 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene?
The InChIKey is NJLCMDWFPRPTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF/c1-8(2)4-6(9)3-7(10)5-8/h3-4H,5H2,1-2H3.
What are the key properties of 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene?
3-bromo-1-fluoro-5,5-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 3-bromo-1-fluoro-5,5-dimethylcyclohexa-1,3-diene is sourced from PubChem (CID 134426487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).