3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol

C12H16F3NO — CID 64985200

IUPAC3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
SMILESCc1cc(C)c(C(O)(CN)C(F)(F)F)cc1C
InChIInChI=1S/C12H16F3NO/c1-7-4-9(3)10(5-8(7)2)11(17,6-16)12(13,14)15/h4-5,17H,6,16H2,1-3H3
InChIKeyIVGIBUXPKBKQGJ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.32
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol (PubChem CID 64985200) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
PubChem CID64985200
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
SMILESCc1cc(C)c(C(O)(CN)C(F)(F)F)cc1C
InChIInChI=1S/C12H16F3NO/c1-7-4-9(3)10(5-8(7)2)11(17,6-16)12(13,14)15/h4-5,17H,6,16H2,1-3H3
InChIKeyIVGIBUXPKBKQGJ-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol (CID 64985200) is 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol is Cc1cc(C)c(C(O)(CN)C(F)(F)F)cc1C.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol?
The InChIKey is IVGIBUXPKBKQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-7-4-9(3)10(5-8(7)2)11(17,6-16)12(13,14)15/h4-5,17H,6,16H2,1-3H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol has a molecular weight of 247.26 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol is sourced from PubChem (CID 64985200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).