(2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol

C8H8F3NO — CID 55278655

IUPAC(2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol
SMILESN[C@H](CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H8F3NO/c9-5-1-4(7(12)3-13)2-6(10)8(5)11/h1-2,7,13H,3,12H2/t7-/m1/s1
InChIKeyHHEXZBORTSEZEF-SSDOTTSWSA-N
MW191.15 g/mol
LogP1.10
Rot. Bonds2

About (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol

(2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol (PubChem CID 55278655) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol
PubChem CID55278655
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name(2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol
SMILESN[C@H](CO)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C8H8F3NO/c9-5-1-4(7(12)3-13)2-6(10)8(5)11/h1-2,7,13H,3,12H2/t7-/m1/s1
InChIKeyHHEXZBORTSEZEF-SSDOTTSWSA-N
XLogP1.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.10
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

phenylalaninol, (S)-
CID 447213
phenylalaninol, (R)-
CID 853475
DL-Phenylalaninol
CID 76652
2-Amino-1-(4-fluorophenyl)ethan-1-ol
CID 9827
2-Amino-2-phenylethanol
CID 92466
(R)-beta-aminophenethyl alcohol
CID 2724025
1-Propanol, 3-amino-3-phenyl-
CID 203500
2-Amino-1-(3-fluorophenyl)ethan-1-ol
CID 35800
1-Amino-3-phenylpropan-2-ol
CID 3758046
2-(4-(Aminomethyl)phenyl)ethan-1-ol
CID 22601458
2-Amino-2-phenylethan-1-ol
CID 134797
(2S)-2-amino-3-phenylpropane-1,1-diol
CID 445494

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol (CID 55278655) is (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol is N[C@H](CO)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol?
The InChIKey is HHEXZBORTSEZEF-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-5-1-4(7(12)3-13)2-6(10)8(5)11/h1-2,7,13H,3,12H2/t7-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol?
(2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol has a molecular weight of 191.15 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 55278655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).