2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C8H6BrF3O2 — CID 83952334

IUPAC2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESOc1ccc(C(O)C(F)(F)F)cc1Br
InChIInChI=1S/C8H6BrF3O2/c9-5-3-4(1-2-6(5)13)7(14)8(10,11)12/h1-3,7,13-14H
InChIKeyFFIJWZBQHJVNLW-UHFFFAOYSA-N
MW271.03 g/mol
LogP2.75
Rot. Bonds1

About 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 83952334) has the molecular formula C8H6BrF3O2 and a molecular weight of 271.03 g/mol. Its IUPAC name is 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID83952334
Molecular FormulaC8H6BrF3O2
Molecular Weight271.03 g/mol
Exact Mass269.95
IUPAC Name2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESOc1ccc(C(O)C(F)(F)F)cc1Br
InChIInChI=1S/C8H6BrF3O2/c9-5-3-4(1-2-6(5)13)7(14)8(10,11)12/h1-3,7,13-14H
InChIKeyFFIJWZBQHJVNLW-UHFFFAOYSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.03
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
1-(3-bromophenyl)-2,2,2-trifluoroethanol
CID 23423062
2-bromo-4-[hydroxy(methoxy)methyl]phenol
CID 139576076
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
4-[(1R)-1-aminoethyl]-2-bromophenol
CID 78938003
(1S)-1-(3-bromo-4,5-dichlorophenyl)-2,2,2-trifluoroethanol
CID 135348437
4-[4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]phenol
CID 11021882
3-(3-bromo-4-hydroxyphenyl)-2,3-dihydroxypropanenitrile
CID 171871320
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-bromophenol;hydrochloride
CID 171262231
(1R)-1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanol
CID 86335057
4-[(1R)-1-amino-3-fluoropropyl]-2-bromophenol;hydrochloride
CID 171204287

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 83952334) is 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is Oc1ccc(C(O)C(F)(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is FFIJWZBQHJVNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3O2/c9-5-3-4(1-2-6(5)13)7(14)8(10,11)12/h1-3,7,13-14H.
What are the key properties of 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 271.03 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 83952334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).