(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride

C9H12Cl2FNO — CID 171161283

IUPAC(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-5(13)9(12)7-3-2-6(10)4-8(7)11;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyIQDNVGBWOMHWPH-AXHNGXNJSA-N
MW240.11 g/mol
LogP2.28
Rot. Bonds2

About (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride (PubChem CID 171161283) has the molecular formula C9H12Cl2FNO and a molecular weight of 240.11 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
PubChem CID171161283
Molecular FormulaC9H12Cl2FNO
Molecular Weight240.11 g/mol
Exact Mass239.03
IUPAC Name(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccc(Cl)cc1F.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-5(13)9(12)7-3-2-6(10)4-8(7)11;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1
InChIKeyIQDNVGBWOMHWPH-AXHNGXNJSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
(1R,2R)-1-amino-1-(4-chloro-2-methylphenyl)propan-2-ol
CID 130610740
(1R)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 131128779
(1R,2S)-1-amino-1-(2-bromo-4-chlorophenyl)propan-2-ol
CID 130613122
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
(1R,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130778314
(1S,2R)-1-amino-1-(5-chloro-2-methylphenyl)propan-2-ol
CID 130742251
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 130641514
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)propan-2-ol
CID 131118070

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride (CID 171161283) is (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1ccc(Cl)cc1F.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride?
The InChIKey is IQDNVGBWOMHWPH-AXHNGXNJSA-N. The full InChI is InChI=1S/C9H11ClFNO.ClH/c1-5(13)9(12)7-3-2-6(10)4-8(7)11;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride has a molecular weight of 240.11 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171161283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).