(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride

C9H10BrClF3NO — CID 171246509

IUPAC(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C9H9BrF3NO.ClH/c10-5-1-2-7(11)6(3-5)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1
InChIKeyJOKJQVCTOSVXPY-QRPNPIFTSA-N
MW320.54 g/mol
LogP2.64
Rot. Bonds3

About (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride

(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171246509) has the molecular formula C9H10BrClF3NO and a molecular weight of 320.54 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171246509
Molecular FormulaC9H10BrClF3NO
Molecular Weight320.54 g/mol
Exact Mass318.96
IUPAC Name(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@@H](c1cc(Br)ccc1F)C(F)(F)CO
InChIInChI=1S/C9H9BrF3NO.ClH/c10-5-1-2-7(11)6(3-5)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1
InChIKeyJOKJQVCTOSVXPY-QRPNPIFTSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.54
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride 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-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromophenol;hydrochloride
CID 171239039
2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromophenol
CID 131525992
(3R)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131518371
(3S)-3-amino-3-(2,5-difluorophenyl)-2,2-difluoropropan-1-ol
CID 131266456
(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171245024
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-bromo-6-fluorophenol
CID 131342980
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246158
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propan-1-ol;hydrochloride
CID 171220171
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
6-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-2,3-difluorophenol;hydrochloride
CID 171253128
(3S)-3-amino-3-(2-amino-3,5-dibromophenyl)-2,2-difluoropropan-1-ol
CID 171246073
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171246509) is (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@@H](c1cc(Br)ccc1F)C(F)(F)CO.
What is the InChIKey of (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is JOKJQVCTOSVXPY-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H9BrF3NO.ClH/c10-5-1-2-7(11)6(3-5)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 320.54 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171246509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).