4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol

C7H8BrFO — CID 151004156

IUPAC4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(F)C=C(Br)C=CC1O
InChIInChI=1S/C7H8BrFO/c1-7(9)4-5(8)2-3-6(7)10/h2-4,6,10H,1H3
InChIKeyAOVDSRGVZFIKLM-UHFFFAOYSA-N
MW207.04 g/mol
LogP1.92
Rot. Bonds

About 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol

4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol (PubChem CID 151004156) has the molecular formula C7H8BrFO and a molecular weight of 207.04 g/mol. Its IUPAC name is 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol
PubChem CID151004156
Molecular FormulaC7H8BrFO
Molecular Weight207.04 g/mol
Exact Mass205.97
IUPAC Name4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol
SMILESCC1(F)C=C(Br)C=CC1O
InChIInChI=1S/C7H8BrFO/c1-7(9)4-5(8)2-3-6(7)10/h2-4,6,10H,1H3
InChIKeyAOVDSRGVZFIKLM-UHFFFAOYSA-N
XLogP1.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.04
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol (CID 151004156) is 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol is CC1(F)C=C(Br)C=CC1O.
What is the InChIKey of 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol?
The InChIKey is AOVDSRGVZFIKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFO/c1-7(9)4-5(8)2-3-6(7)10/h2-4,6,10H,1H3.
What are the key properties of 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol?
4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol has a molecular weight of 207.04 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-6-methylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 151004156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).