4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol

C12H16F3NO — CID 68863508

IUPAC4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol
SMILESCC(O)CC(N)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-9(17)7-11(16,12(13,14)15)8-10-5-3-2-4-6-10/h2-6,9,17H,7-8,16H2,1H3
InChIKeyIQTOKXPSBYEYRO-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.26
Rot. Bonds4

About 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol

4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol (PubChem CID 68863508) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol.

Molecular Properties

Compound Name4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol
PubChem CID68863508
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol
SMILESCC(O)CC(N)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-9(17)7-11(16,12(13,14)15)8-10-5-3-2-4-6-10/h2-6,9,17H,7-8,16H2,1H3
InChIKeyIQTOKXPSBYEYRO-UHFFFAOYSA-N
XLogP2.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol?
The IUPAC name of 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol (CID 68863508) is 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol.
What is the SMILES notation for 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol?
The canonical SMILES for 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol is CC(O)CC(N)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol?
The InChIKey is IQTOKXPSBYEYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-9(17)7-11(16,12(13,14)15)8-10-5-3-2-4-6-10/h2-6,9,17H,7-8,16H2,1H3.
What are the key properties of 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol?
4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol has a molecular weight of 247.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-benzyl-5,5,5-trifluoropentan-2-ol is sourced from PubChem (CID 68863508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).