3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol

C11H14F3NO — CID 63083089

IUPAC3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C)cc(C(O)(CN)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-7-3-8(2)5-9(4-7)10(16,6-15)11(12,13)14/h3-5,16H,6,15H2,1-2H3
InChIKeyKIYGSHKSRHEXLS-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.01
Rot. Bonds2

About 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol

3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 63083089) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID63083089
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C)cc(C(O)(CN)C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-7-3-8(2)5-9(4-7)10(16,6-15)11(12,13)14/h3-5,16H,6,15H2,1-2H3
InChIKeyKIYGSHKSRHEXLS-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol (CID 63083089) is 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is Cc1cc(C)cc(C(O)(CN)C(F)(F)F)c1.
What is the InChIKey of 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is KIYGSHKSRHEXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-7-3-8(2)5-9(4-7)10(16,6-15)11(12,13)14/h3-5,16H,6,15H2,1-2H3.
What are the key properties of 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol?
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63083089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).