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

C9H11ClFNO — CID 130683102

IUPAC(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyFTSOYUUFUORFAW-CDUCUWFYSA-N
MW203.64 g/mol
LogP1.86
Rot. Bonds2

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

(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol (PubChem CID 130683102) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
PubChem CID130683102
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cc(F)cc(Cl)c1
InChIInChI=1S/C9H11ClFNO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1
InChIKeyFTSOYUUFUORFAW-CDUCUWFYSA-N
XLogP1.86
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 51.86
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;hydrochloride
CID 171262344
(1S,2R)-1-amino-1-(3-chloro-5-fluorophenyl)-3-methylpentan-2-ol
CID 171268040
(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
(1S,2R)-1-amino-1-[3-chloro-5-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271401
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
1-(3-chloro-5-fluorophenyl)-3-methylbutan-1-ol
CID 114454018
(1R,2R)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol
CID 130663904
(1R,2S)-1-amino-1-(3-chloro-4-fluorophenyl)propan-2-ol;hydrochloride
CID 171159952
(1S)-1-(3-chloro-5-fluorophenyl)-4-methylpentan-1-amine
CID 171224175

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol (CID 130683102) is (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol is C[C@H](O)[C@H](N)c1cc(F)cc(Cl)c1.
What is the InChIKey of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol?
The InChIKey is FTSOYUUFUORFAW-CDUCUWFYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-5(13)9(12)6-2-7(10)4-8(11)3-6/h2-5,9,13H,12H2,1H3/t5-,9-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol?
(1R,2S)-1-amino-1-(3-chloro-5-fluorophenyl)propan-2-ol has a molecular weight of 203.64 g/mol, XLogP of 1.86, 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 is sourced from PubChem (CID 130683102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).