[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol

C8H6BrF3O2 — CID 118141988

IUPAC[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
SMILESOCc1c(OC(F)F)ccc(Br)c1F
InChIInChI=1S/C8H6BrF3O2/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-2,8,13H,3H2
InChIKeyDBTSOJGPNLWNJC-UHFFFAOYSA-N
MW271.03 g/mol
LogP2.68
Rot. Bonds3

About [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol

[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol (PubChem CID 118141988) has the molecular formula C8H6BrF3O2 and a molecular weight of 271.03 g/mol. Its IUPAC name is [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
PubChem CID118141988
Molecular FormulaC8H6BrF3O2
Molecular Weight271.03 g/mol
Exact Mass269.95
IUPAC Name[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol
SMILESOCc1c(OC(F)F)ccc(Br)c1F
InChIInChI=1S/C8H6BrF3O2/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-2,8,13H,3H2
InChIKeyDBTSOJGPNLWNJC-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.03
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-3-(bromomethyl)-4-(difluoromethoxy)-2-fluorobenzene
CID 118141950
methyl 2-[2,3-dibromo-6-(difluoromethoxy)phenyl]acetate
CID 134634019
4-bromo-2-(difluoromethoxy)-3-fluorophenol
CID 118834241
[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
(6-amino-3-bromo-2-fluorophenyl)methanol
CID 67080757
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
1-bromo-2-(difluoromethoxy)-4-fluorobenzene
CID 45158711
[2-(difluoromethoxy)-4,6-difluorophenyl]methanol
CID 130934755
1-(difluoromethoxy)-2-ethyl-3,4-difluorobenzene
CID 131093585
[6-(difluoromethoxy)-2,3-difluorophenyl]methanamine
CID 130837574
1,3-dibromo-4-(difluoromethoxy)-2-methylsulfanylbenzene
CID 119024321
1,2-dibromo-4-(difluoromethoxy)-3-methylbenzene
CID 118820826

Frequently Asked Questions

What is the IUPAC name of [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol?
The IUPAC name of [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol (CID 118141988) is [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol.
What is the SMILES notation for [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol?
The canonical SMILES for [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol is OCc1c(OC(F)F)ccc(Br)c1F.
What is the InChIKey of [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol?
The InChIKey is DBTSOJGPNLWNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O2/c9-5-1-2-6(14-8(11)12)4(3-13)7(5)10/h1-2,8,13H,3H2.
What are the key properties of [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol?
[3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol has a molecular weight of 271.03 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-6-(difluoromethoxy)-2-fluorophenyl]methanol is sourced from PubChem (CID 118141988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).