(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol

C11H13F4NO2 — CID 121361675

IUPAC(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO2/c1-10(2,17)9(16)6-3-4-8(7(12)5-6)18-11(13,14)15/h3-5,9,17H,16H2,1-2H3/t9-/m0/s1
InChIKeyLYAZPOSTZXIXMI-VIFPVBQESA-N
MW267.22 g/mol
LogP2.49
Rot. Bonds3

About (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol

(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol (PubChem CID 121361675) has the molecular formula C11H13F4NO2 and a molecular weight of 267.22 g/mol. Its IUPAC name is (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
PubChem CID121361675
Molecular FormulaC11H13F4NO2
Molecular Weight267.22 g/mol
Exact Mass267.09
IUPAC Name(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4NO2/c1-10(2,17)9(16)6-3-4-8(7(12)5-6)18-11(13,14)15/h3-5,9,17H,16H2,1-2H3/t9-/m0/s1
InChIKeyLYAZPOSTZXIXMI-VIFPVBQESA-N
XLogP2.49
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
The IUPAC name of (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol (CID 121361675) is (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
The canonical SMILES for (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol is CC(C)(O)[C@@H](N)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
The InChIKey is LYAZPOSTZXIXMI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13F4NO2/c1-10(2,17)9(16)6-3-4-8(7(12)5-6)18-11(13,14)15/h3-5,9,17H,16H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol?
(1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol has a molecular weight of 267.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 121361675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).