2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol

C14H10Br2F3NO2 — CID 171256661

IUPAC2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1c(Br)ccc(Br)c1O
InChIInChI=1S/C14H10Br2F3NO2/c15-9-5-6-10(16)13(21)11(9)12(20)7-1-3-8(4-2-7)22-14(17,18)19/h1-6,12,21H,20H2/t12-/m1/s1
InChIKeyCFCQWALFXGHVFI-GFCCVEGCSA-N
MW441.04 g/mol
LogP4.86
Rot. Bonds3

About 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol

2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol (PubChem CID 171256661) has the molecular formula C14H10Br2F3NO2 and a molecular weight of 441.04 g/mol. Its IUPAC name is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol.

Molecular Properties

Compound Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol
PubChem CID171256661
Molecular FormulaC14H10Br2F3NO2
Molecular Weight441.04 g/mol
Exact Mass438.90
IUPAC Name2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol
SMILESN[C@H](c1ccc(OC(F)(F)F)cc1)c1c(Br)ccc(Br)c1O
InChIInChI=1S/C14H10Br2F3NO2/c15-9-5-6-10(16)13(21)11(9)12(20)7-1-3-8(4-2-7)22-14(17,18)19/h1-6,12,21H,20H2/t12-/m1/s1
InChIKeyCFCQWALFXGHVFI-GFCCVEGCSA-N
XLogP4.86
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.04
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-bromo-6-methylphenol;hydrochloride
CID 171256311
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171253007
4-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromophenol
CID 171247817
(S)-(2-bromo-5-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240548
6-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-2,3-difluorophenol;hydrochloride
CID 171257942
4-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-2-bromo-6-methoxyphenol
CID 171241821
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-fluoro-6-methylphenol
CID 171257315
3,6-dibromo-2-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171297781
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-5-bromo-4-hydroxybenzoic acid
CID 171258148
(S)-(2,5-dibromophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171244775
6-amino-2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3-methylphenol;hydrochloride
CID 171256940
2-[(S)-amino-[4-(trifluoromethoxy)phenyl]methyl]-4-bromo-3,5-dimethylphenol;hydrochloride
CID 171254288

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol?
The IUPAC name of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol (CID 171256661) is 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol.
What is the SMILES notation for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol?
The canonical SMILES for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol is N[C@H](c1ccc(OC(F)(F)F)cc1)c1c(Br)ccc(Br)c1O.
What is the InChIKey of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol?
The InChIKey is CFCQWALFXGHVFI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H10Br2F3NO2/c15-9-5-6-10(16)13(21)11(9)12(20)7-1-3-8(4-2-7)22-14(17,18)19/h1-6,12,21H,20H2/t12-/m1/s1.
What are the key properties of 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol?
2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol has a molecular weight of 441.04 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]-3,6-dibromophenol is sourced from PubChem (CID 171256661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).