4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol

C11H14F3NO — CID 153329575

IUPAC4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol
SMILESCC(N)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,8,16H,7,15H2,1H3
InChIKeyLLNZBHWJBSMTKH-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.17
Rot. Bonds3

About 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol

4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol (PubChem CID 153329575) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol
PubChem CID153329575
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol
SMILESCC(N)CC(O)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C11H14F3NO/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,8,16H,7,15H2,1H3
InChIKeyLLNZBHWJBSMTKH-UHFFFAOYSA-N
XLogP2.17
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol (CID 153329575) is 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol is CC(N)CC(O)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol?
The InChIKey is LLNZBHWJBSMTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8(15)7-10(16,11(12,13)14)9-5-3-2-4-6-9/h2-6,8,16H,7,15H2,1H3.
What are the key properties of 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol?
4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1-trifluoro-2-phenylpentan-2-ol is sourced from PubChem (CID 153329575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).