(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride

C9H12ClF2NO — CID 69010360

IUPAC(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@H](N)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-5(13)9(12)6-2-3-7(10)8(11)4-6;/h2-5,9,13H,12H2,1H3;1H/t5-,9+;/m1./s1
InChIKeyQMOUENWXGNKOIB-GNXIYFAASA-N
MW223.65 g/mol
LogP1.77
Rot. Bonds2

About (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride

(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride (PubChem CID 69010360) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
PubChem CID69010360
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@H](N)c1ccc(F)c(F)c1.Cl
InChIInChI=1S/C9H11F2NO.ClH/c1-5(13)9(12)6-2-3-7(10)8(11)4-6;/h2-5,9,13H,12H2,1H3;1H/t5-,9+;/m1./s1
InChIKeyQMOUENWXGNKOIB-GNXIYFAASA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R,2S)-1,2-bis(3,4-difluorophenyl)ethane-1,2-diamine
CID 124654147
(1R)-1-amino-1-(4-chlorophenyl)propan-2-ol
CID 130676173
methyl (2R,3S)-3-amino-3-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 57167178
(1S,2R)-1-amino-1-(4-propan-2-ylphenyl)propan-2-ol;hydrochloride
CID 171162397
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride (CID 69010360) is (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride is C[C@@H](O)[C@H](N)c1ccc(F)c(F)c1.Cl.
What is the InChIKey of (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride?
The InChIKey is QMOUENWXGNKOIB-GNXIYFAASA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c1-5(13)9(12)6-2-3-7(10)8(11)4-6;/h2-5,9,13H,12H2,1H3;1H/t5-,9+;/m1./s1.
What are the key properties of (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride?
(1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1-(3,4-difluorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 69010360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).