3-bromo-2-(difluoromethyl)-6-fluorophenol

C7H4BrF3O — CID 130987254

IUPAC3-bromo-2-(difluoromethyl)-6-fluorophenol
SMILESOc1c(F)ccc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF3O/c8-3-1-2-4(9)6(12)5(3)7(10)11/h1-2,7,12H
InChIKeyITCNOPYUQWGXFR-UHFFFAOYSA-N
MW241.01 g/mol
LogP3.23
Rot. Bonds1

About 3-bromo-2-(difluoromethyl)-6-fluorophenol

3-bromo-2-(difluoromethyl)-6-fluorophenol (PubChem CID 130987254) has the molecular formula C7H4BrF3O and a molecular weight of 241.01 g/mol. Its IUPAC name is 3-bromo-2-(difluoromethyl)-6-fluorophenol.

Molecular Properties

Compound Name3-bromo-2-(difluoromethyl)-6-fluorophenol
PubChem CID130987254
Molecular FormulaC7H4BrF3O
Molecular Weight241.01 g/mol
Exact Mass239.94
IUPAC Name3-bromo-2-(difluoromethyl)-6-fluorophenol
SMILESOc1c(F)ccc(Br)c1C(F)F
InChIInChI=1S/C7H4BrF3O/c8-3-1-2-4(9)6(12)5(3)7(10)11/h1-2,7,12H
InChIKeyITCNOPYUQWGXFR-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.01
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(1R)-1-aminoethyl]-3-bromo-6-fluorophenol
CID 130885199
3-bromo-6-fluorobenzene-1,2-diol
CID 45093034
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
2-[(1R)-1-aminobutyl]-3-bromo-6-fluorophenol
CID 130647359
2-[(S)-amino(cyclopentyl)methyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253038
3-bromo-6-fluoro-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299955
3-bromo-6-fluoro-2-[(1S)-2-fluoro-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171299965
methyl (3R)-3-amino-3-(6-bromo-3-fluoro-2-hydroxyphenyl)-2,2-dimethylpropanoate
CID 171256370
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-fluorophenol
CID 130934021
2-[(R)-amino(oxan-4-yl)methyl]-6-bromo-3-fluorophenol;hydrochloride
CID 171256855
3-bromo-6-fluoro-2-(2-hydroxyethyl)phenol
CID 117341488
2-(3-amino-1-hydroxypropyl)-6-bromo-3-fluorophenol
CID 84711168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(difluoromethyl)-6-fluorophenol?
The IUPAC name of 3-bromo-2-(difluoromethyl)-6-fluorophenol (CID 130987254) is 3-bromo-2-(difluoromethyl)-6-fluorophenol.
What is the SMILES notation for 3-bromo-2-(difluoromethyl)-6-fluorophenol?
The canonical SMILES for 3-bromo-2-(difluoromethyl)-6-fluorophenol is Oc1c(F)ccc(Br)c1C(F)F.
What is the InChIKey of 3-bromo-2-(difluoromethyl)-6-fluorophenol?
The InChIKey is ITCNOPYUQWGXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3O/c8-3-1-2-4(9)6(12)5(3)7(10)11/h1-2,7,12H.
What are the key properties of 3-bromo-2-(difluoromethyl)-6-fluorophenol?
3-bromo-2-(difluoromethyl)-6-fluorophenol has a molecular weight of 241.01 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(difluoromethyl)-6-fluorophenol is sourced from PubChem (CID 130987254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).