(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride

C10H9BrClF6NO — CID 171263130

IUPAC(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cc(Br)cc(C(F)(F)F)c1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H8BrF6NO.ClH/c11-6-2-4(1-5(3-6)9(12,13)14)7(18)8(19)10(15,16)17;/h1-3,7-8,19H,18H2;1H/t7-,8-;/m1./s1
InChIKeyOLLJOGDHNLNWCD-SCLLHFNJSA-N
MW388.53 g/mol
LogP3.81
Rot. Bonds2

About (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride

(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 171263130) has the molecular formula C10H9BrClF6NO and a molecular weight of 388.53 g/mol. Its IUPAC name is (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID171263130
Molecular FormulaC10H9BrClF6NO
Molecular Weight388.53 g/mol
Exact Mass386.95
IUPAC Name(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cc(Br)cc(C(F)(F)F)c1)[C@@H](O)C(F)(F)F
InChIInChI=1S/C10H8BrF6NO.ClH/c11-6-2-4(1-5(3-6)9(12,13)14)7(18)8(19)10(15,16)17;/h1-3,7-8,19H,18H2;1H/t7-,8-;/m1./s1
InChIKeyOLLJOGDHNLNWCD-SCLLHFNJSA-N
XLogP3.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride with MolForge

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Related Compounds

(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
(1S,2R)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171268800
(1R,2S)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]hexan-2-ol;hydrochloride
CID 171263136
(1R,2S)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]-5-methylhexan-2-ol
CID 171263137
(1R,2S)-1-amino-1-[3-bromo-5-(trifluoromethyl)phenyl]hexan-2-ol
CID 171263135
(2S)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 66515645
4-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-2,6-dibromophenol
CID 171261172
1-amino-1-[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
CID 138108892
(2S,3S)-3-amino-1,1,1-trifluoro-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 171161829
2-bromo-1-[3-bromo-5-(trifluoromethyl)phenyl]ethanol
CID 70189456
methyl (2R)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]acetate;hydrochloride
CID 171226749
(1R)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 131485773

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 171263130) is (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.N[C@H](c1cc(Br)cc(C(F)(F)F)c1)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is OLLJOGDHNLNWCD-SCLLHFNJSA-N. The full InChI is InChI=1S/C10H8BrF6NO.ClH/c11-6-2-4(1-5(3-6)9(12,13)14)7(18)8(19)10(15,16)17;/h1-3,7-8,19H,18H2;1H/t7-,8-;/m1./s1.
What are the key properties of (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride?
(2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 388.53 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-amino-3-[3-bromo-5-(trifluoromethyl)phenyl]-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 171263130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).