(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

C10H12F3NO2 — CID 30121905

IUPAC(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESNC[C@@H](O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)8-3-1-2-4-9(8)16-6-7(15)5-14/h1-4,7,15H,5-6,14H2/t7-/m1/s1
InChIKeyCVVJECDYHAFVIU-SSDOTTSWSA-N
MW235.20 g/mol
LogP1.40
Rot. Bonds4

About (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol

(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (PubChem CID 30121905) has the molecular formula C10H12F3NO2 and a molecular weight of 235.20 g/mol. Its IUPAC name is (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
PubChem CID30121905
Molecular FormulaC10H12F3NO2
Molecular Weight235.20 g/mol
Exact Mass235.08
IUPAC Name(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
SMILESNC[C@@H](O)COc1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2/c11-10(12,13)8-3-1-2-4-9(8)16-6-7(15)5-14/h1-4,7,15H,5-6,14H2/t7-/m1/s1
InChIKeyCVVJECDYHAFVIU-SSDOTTSWSA-N
XLogP1.40
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,4-triazol-4-yl)-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 75520357
2-benzyl-3-[2-(trifluoromethyl)phenoxy]propan-1-amine
CID 117241572
carbamic acid;1-prop-2-ynoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 71436755
2-(3-amino-2-hydroxypropoxy)benzaldehyde
CID 88848281
1-cyclobutyl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117245560
1-pyridin-4-yl-2-[2-(trifluoromethyl)phenoxy]ethanol
CID 117246453
(2S)-2-amino-N-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N,3,3-trimethylbutanamide;hydrochloride
CID 119741458
N-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 95787037
4,4-dimethyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241683
4-methyl-1-[2-(trifluoromethyl)phenoxy]pentan-2-amine
CID 117241681
1-(2,2-diethoxyethoxy)-2-(trifluoromethyl)benzene
CID 63628931
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333

Frequently Asked Questions

What is the IUPAC name of (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The IUPAC name of (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol (CID 30121905) is (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The canonical SMILES for (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is NC[C@@H](O)COc1ccccc1C(F)(F)F.
What is the InChIKey of (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
The InChIKey is CVVJECDYHAFVIU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H12F3NO2/c11-10(12,13)8-3-1-2-4-9(8)16-6-7(15)5-14/h1-4,7,15H,5-6,14H2/t7-/m1/s1.
What are the key properties of (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol?
(2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol has a molecular weight of 235.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-amino-3-[2-(trifluoromethyl)phenoxy]propan-2-ol is sourced from PubChem (CID 30121905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).