[2-bromo-6-(trifluoromethoxy)phenyl]methanol

C8H6BrF3O2 — CID 66770602

IUPAC[2-bromo-6-(trifluoromethoxy)phenyl]methanol
SMILESOCc1c(Br)cccc1OC(F)(F)F
InChIInChI=1S/C8H6BrF3O2/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-3,13H,4H2
InChIKeyDTDOTSMDADDJEH-UHFFFAOYSA-N
MW271.03 g/mol
LogP2.84
Rot. Bonds2

About [2-bromo-6-(trifluoromethoxy)phenyl]methanol

[2-bromo-6-(trifluoromethoxy)phenyl]methanol (PubChem CID 66770602) has the molecular formula C8H6BrF3O2 and a molecular weight of 271.03 g/mol. Its IUPAC name is [2-bromo-6-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[2-bromo-6-(trifluoromethoxy)phenyl]methanol
PubChem CID66770602
Molecular FormulaC8H6BrF3O2
Molecular Weight271.03 g/mol
Exact Mass269.95
IUPAC Name[2-bromo-6-(trifluoromethoxy)phenyl]methanol
SMILESOCc1c(Br)cccc1OC(F)(F)F
InChIInChI=1S/C8H6BrF3O2/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-3,13H,4H2
InChIKeyDTDOTSMDADDJEH-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.03
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-(chloromethyl)-3-(trifluoromethoxy)benzene
CID 75537263
[2-methoxy-6-(trifluoromethoxy)phenyl]methanol
CID 134638773
1-[2-bromo-6-(trifluoromethoxy)phenyl]-3-chloropropan-2-one
CID 134615507
[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 19261601
1-[2-bromo-6-(trifluoromethoxy)phenyl]-3-chloropropan-1-one
CID 119013900
(2-bromophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 62791669
1-bromo-3-[2-hydroxy-6-(trifluoromethoxy)phenyl]propan-2-one
CID 134617061
1-[3-bromo-2-(hydroxymethyl)phenyl]-3-[3-chloro-5-(trifluoromethoxy)phenyl]urea
CID 166747576
1-bromo-4-[2-(trifluoromethoxy)phenyl]benzene
CID 123878641
2-ethyl-1-fluoro-3-(trifluoromethoxy)benzene
CID 131169258
(3-bromo-2-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792552
4-[[2-[amino(methyl)amino]-6-(trifluoromethoxy)phenyl]methoxy]-3-bromophenol
CID 129144445

Frequently Asked Questions

What is the IUPAC name of [2-bromo-6-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [2-bromo-6-(trifluoromethoxy)phenyl]methanol (CID 66770602) is [2-bromo-6-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [2-bromo-6-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [2-bromo-6-(trifluoromethoxy)phenyl]methanol is OCc1c(Br)cccc1OC(F)(F)F.
What is the InChIKey of [2-bromo-6-(trifluoromethoxy)phenyl]methanol?
The InChIKey is DTDOTSMDADDJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O2/c9-6-2-1-3-7(5(6)4-13)14-8(10,11)12/h1-3,13H,4H2.
What are the key properties of [2-bromo-6-(trifluoromethoxy)phenyl]methanol?
[2-bromo-6-(trifluoromethoxy)phenyl]methanol has a molecular weight of 271.03 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bromo-6-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 66770602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).