2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol

C14H11BrF3NO — CID 63046192

IUPAC2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C14H11BrF3NO/c15-12-7-9(1-6-13(12)20)8-19-11-4-2-10(3-5-11)14(16,17)18/h1-7,19-20H,8H2
InChIKeyDOKWPWNBNSRGEW-UHFFFAOYSA-N
MW346.15 g/mol
LogP4.79
Rot. Bonds3

About 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol

2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol (PubChem CID 63046192) has the molecular formula C14H11BrF3NO and a molecular weight of 346.15 g/mol. Its IUPAC name is 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
PubChem CID63046192
Molecular FormulaC14H11BrF3NO
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol
SMILESOc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Br
InChIInChI=1S/C14H11BrF3NO/c15-12-7-9(1-6-13(12)20)8-19-11-4-2-10(3-5-11)14(16,17)18/h1-7,19-20H,8H2
InChIKeyDOKWPWNBNSRGEW-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-[(4-methylanilino)methyl]phenol
CID 55025634
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
4-[[4-bromo-3-(trifluoromethyl)anilino]methyl]benzene-1,2-diol
CID 43680396
methyl 4-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63044845
4-[(3-bromo-4-hydroxyphenyl)methylamino]-2,6-dichlorophenol
CID 107678911
4-[(3-bromo-4-hydroxyphenyl)methylamino]benzene-1,2-dicarbonitrile
CID 107788143
1-N-methyl-4-N-[[4-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 155032671
2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 63046915
2-bromo-4-[(2,3,5,6-tetrafluoroanilino)methyl]phenol
CID 107643664
2-bromo-4-[[4-(1,3-oxazol-5-yl)anilino]methyl]phenol
CID 63045032
2-bromo-4-[(2,3,4-trifluoroanilino)methyl]phenol
CID 63045152

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol?
The IUPAC name of 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol (CID 63046192) is 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol.
What is the SMILES notation for 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol?
The canonical SMILES for 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol is Oc1ccc(CNc2ccc(C(F)(F)F)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol?
The InChIKey is DOKWPWNBNSRGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO/c15-12-7-9(1-6-13(12)20)8-19-11-4-2-10(3-5-11)14(16,17)18/h1-7,19-20H,8H2.
What are the key properties of 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol?
2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol has a molecular weight of 346.15 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[4-(trifluoromethyl)anilino]methyl]phenol is sourced from PubChem (CID 63046192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).