1-bromo-2-(trifluoromethyl)benzene;phenol

C13H10BrF3O — CID 174917942

IUPAC1-bromo-2-(trifluoromethyl)benzene;phenol
SMILESFC(F)(F)c1ccccc1Br.Oc1ccccc1
InChIInChI=1S/C7H4BrF3.C6H6O/c8-6-4-2-1-3-5(6)7(9,10)11;7-6-4-2-1-3-5-6/h1-4H;1-5,7H
InChIKeySIRSUDMJHMISJH-UHFFFAOYSA-N
MW319.12 g/mol
LogP4.86
Rot. Bonds

About 1-bromo-2-(trifluoromethyl)benzene;phenol

1-bromo-2-(trifluoromethyl)benzene;phenol (PubChem CID 174917942) has the molecular formula C13H10BrF3O and a molecular weight of 319.12 g/mol. Its IUPAC name is 1-bromo-2-(trifluoromethyl)benzene;phenol.

Molecular Properties

Compound Name1-bromo-2-(trifluoromethyl)benzene;phenol
PubChem CID174917942
Molecular FormulaC13H10BrF3O
Molecular Weight319.12 g/mol
Exact Mass317.99
IUPAC Name1-bromo-2-(trifluoromethyl)benzene;phenol
SMILESFC(F)(F)c1ccccc1Br.Oc1ccccc1
InChIInChI=1S/C7H4BrF3.C6H6O/c8-6-4-2-1-3-5(6)7(9,10)11;7-6-4-2-1-3-5-6/h1-4H;1-5,7H
InChIKeySIRSUDMJHMISJH-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzene
CID 134856617
2-(trifluoromethyl)phenol
CID 162212145
2-(2-bromophenyl)-2,2-difluoroethanol
CID 91926417
4-aminobenzenesulfonamide;1-bromo-2-(trifluoromethyl)benzene
CID 174933416
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
ethane;2-(trifluoromethyl)phenol
CID 142291947
phenol;phosphane
CID 159689182
phenol;chloride
CID 23313261
phenol;tantalum
CID 19915613
phenol;bis(yttrium)
CID 59089942
CID 159904044
CID 159904044
aluminum phenol
CID 19023057

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(trifluoromethyl)benzene;phenol?
The IUPAC name of 1-bromo-2-(trifluoromethyl)benzene;phenol (CID 174917942) is 1-bromo-2-(trifluoromethyl)benzene;phenol.
What is the SMILES notation for 1-bromo-2-(trifluoromethyl)benzene;phenol?
The canonical SMILES for 1-bromo-2-(trifluoromethyl)benzene;phenol is FC(F)(F)c1ccccc1Br.Oc1ccccc1.
What is the InChIKey of 1-bromo-2-(trifluoromethyl)benzene;phenol?
The InChIKey is SIRSUDMJHMISJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3.C6H6O/c8-6-4-2-1-3-5(6)7(9,10)11;7-6-4-2-1-3-5-6/h1-4H;1-5,7H.
What are the key properties of 1-bromo-2-(trifluoromethyl)benzene;phenol?
1-bromo-2-(trifluoromethyl)benzene;phenol has a molecular weight of 319.12 g/mol, XLogP of 4.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(trifluoromethyl)benzene;phenol is sourced from PubChem (CID 174917942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).