(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol

C9H10F3NO — CID 130658777

IUPAC(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c1-4(14)9(13)5-2-3-6(10)8(12)7(5)11/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1
InChIKeyUIYJYPYCJUAJJP-KISVTORNSA-N
MW205.18 g/mol
LogP1.48
Rot. Bonds2

About (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol

(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol (PubChem CID 130658777) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
PubChem CID130658777
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
SMILESCC(O)[C@@H](N)c1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c1-4(14)9(13)5-2-3-6(10)8(12)7(5)11/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1
InChIKeyUIYJYPYCJUAJJP-KISVTORNSA-N
XLogP1.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[(1S,2R)-1-amino-2-hydroxypropyl]-2,3-difluorophenol
CID 130747229
1-amino-1-(2,3-difluorophenyl)propan-2-ol
CID 55273515
(1S,2R)-1-amino-1-(2,3,4-trifluorophenyl)butan-2-ol
CID 131568050
(1S,2R)-1-amino-1-(4-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171161283
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1S,2S)-1-amino-1-(3-amino-2-fluorophenyl)propan-2-ol
CID 131123791
4-[(1R,2S)-1-amino-2-hydroxypropyl]-3-fluorophenol
CID 55270468
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(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
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol?
The IUPAC name of (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol (CID 130658777) is (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol?
The canonical SMILES for (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol is CC(O)[C@@H](N)c1ccc(F)c(F)c1F.
What is the InChIKey of (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol?
The InChIKey is UIYJYPYCJUAJJP-KISVTORNSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-4(14)9(13)5-2-3-6(10)8(12)7(5)11/h2-4,9,14H,13H2,1H3/t4?,9-/m1/s1.
What are the key properties of (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol?
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol is sourced from PubChem (CID 130658777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).