4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol

C9H8Br2F3NO2 — CID 171261172

IUPAC4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol
SMILESN[C@H](c1cc(Br)c(O)c(Br)c1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H8Br2F3NO2/c10-4-1-3(2-5(11)7(4)16)6(15)8(17)9(12,13)14/h1-2,6,8,16-17H,15H2/t6-,8-/m1/s1
InChIKeyVNUOWWUXNMUGMJ-HTRCEHHLSA-N
MW378.97 g/mol
LogP2.84
Rot. Bonds2

About 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol

4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol (PubChem CID 171261172) has the molecular formula C9H8Br2F3NO2 and a molecular weight of 378.97 g/mol. Its IUPAC name is 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol
PubChem CID171261172
Molecular FormulaC9H8Br2F3NO2
Molecular Weight378.97 g/mol
Exact Mass376.89
IUPAC Name4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol
SMILESN[C@H](c1cc(Br)c(O)c(Br)c1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C9H8Br2F3NO2/c10-4-1-3(2-5(11)7(4)16)6(15)8(17)9(12,13)14/h1-2,6,8,16-17H,15H2/t6-,8-/m1/s1
InChIKeyVNUOWWUXNMUGMJ-HTRCEHHLSA-N
XLogP2.84
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.97
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-ditert-butylphenol
CID 171160625
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2,6-dibromophenol
CID 66510459
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dibromophenol
CID 131086526
(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
CID 171263130
4-[(1S)-1-amino-3,3,3-trifluoropropyl]-2,6-dibromophenol;hydrochloride
CID 171219523
(2S,3S)-3-amino-3-(2,5-dibromophenyl)-1,1,1-trifluoropropan-2-ol
CID 131347022
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2-chlorophenol
CID 171261786
2-[amino-(3,5-dibromo-4-hydroxyphenyl)methyl]butanoic acid
CID 22608415

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol?
The IUPAC name of 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol (CID 171261172) is 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol.
What is the SMILES notation for 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol?
The canonical SMILES for 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol is N[C@H](c1cc(Br)c(O)c(Br)c1)[C@@H](O)C(F)(F)F.
What is the InChIKey of 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol?
The InChIKey is VNUOWWUXNMUGMJ-HTRCEHHLSA-N. The full InChI is InChI=1S/C9H8Br2F3NO2/c10-4-1-3(2-5(11)7(4)16)6(15)8(17)9(12,13)14/h1-2,6,8,16-17H,15H2/t6-,8-/m1/s1.
What are the key properties of 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol?
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol has a molecular weight of 378.97 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol is sourced from PubChem (CID 171261172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).