(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride

C9H12Cl2FNO — CID 171262344

IUPAC(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1cc(F)cc(Cl)c1.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-5(13)9(12)6-2-7(10)4-8(11)3-6;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m0./s1
InChIKeyMSCILZSLWNLEKB-WFZUHFMFSA-N
MW240.11 g/mol
LogP2.28
Rot. Bonds2

About (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride (PubChem CID 171262344) has the molecular formula C9H12Cl2FNO and a molecular weight of 240.11 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
PubChem CID171262344
Molecular FormulaC9H12Cl2FNO
Molecular Weight240.11 g/mol
Exact Mass239.03
IUPAC Name(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride
SMILESC[C@H](O)[C@H](N)c1cc(F)cc(Cl)c1.Cl
InChIInChI=1S/C9H11ClFNO.ClH/c1-5(13)9(12)6-2-7(10)4-8(11)3-6;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m0./s1
InChIKeyMSCILZSLWNLEKB-WFZUHFMFSA-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-(3-chloro-5-fluorophenyl)propan-2-ol
CID 130683102
(1S,2R)-1-amino-1-(3-chloro-5-fluorophenyl)-3-methylpentan-2-ol
CID 171268040
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
(1S,2S)-1-amino-1-(3-chloro-5-methylphenyl)propan-2-ol
CID 130731831
(1S,2R)-1-amino-1-(3-fluoro-5-iodophenyl)propan-2-ol
CID 131150416
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
ethyl (3S)-3-amino-3-(3-chloro-5-fluorophenyl)-2-fluoropropanoate
CID 171247936
(1R,2R)-1-amino-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131320049
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
(1R)-1-(3-chloro-5-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171224143
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride (CID 171262344) is (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride is C[C@H](O)[C@H](N)c1cc(F)cc(Cl)c1.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride?
The InChIKey is MSCILZSLWNLEKB-WFZUHFMFSA-N. The full InChI is InChI=1S/C9H11ClFNO.ClH/c1-5(13)9(12)6-2-7(10)4-8(11)3-6;/h2-5,9,13H,12H2,1H3;1H/t5-,9-;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(3-chloro-5-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 (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol;hydrochloride is sourced from PubChem (CID 171262344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).