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

C9H10BrClF3NO — CID 171240971

IUPAC(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(Br)c1)C(F)(F)CO
InChIInChI=1S/C9H9BrF3NO.ClH/c10-6-1-5(2-7(11)3-6)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1
InChIKeyRBRSIMDCWCIXRM-DDWIOCJRSA-N
MW320.54 g/mol
LogP2.64
Rot. Bonds3

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

(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171240971) has the molecular formula C9H10BrClF3NO and a molecular weight of 320.54 g/mol. Its IUPAC name is (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171240971
Molecular FormulaC9H10BrClF3NO
Molecular Weight320.54 g/mol
Exact Mass318.96
IUPAC Name(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCl.N[C@H](c1cc(F)cc(Br)c1)C(F)(F)CO
InChIInChI=1S/C9H9BrF3NO.ClH/c10-6-1-5(2-7(11)3-6)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1
InChIKeyRBRSIMDCWCIXRM-DDWIOCJRSA-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

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Related Compounds

(3S)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247688
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(3R)-3-amino-3-(3-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171239255
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol;hydrochloride
CID 171248283
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312309
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246158
(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
(3R)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol
CID 131480893
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
(3R)-3-(3-bromo-5-fluorophenyl)-2,2-difluoro-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171179233
(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171240971) is (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride is Cl.N[C@H](c1cc(F)cc(Br)c1)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is RBRSIMDCWCIXRM-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H9BrF3NO.ClH/c10-6-1-5(2-7(11)3-6)8(14)9(12,13)4-15;/h1-3,8,15H,4,14H2;1H/t8-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride?
(3R)-3-amino-3-(3-bromo-5-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 (3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171240971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).