5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol

C11H14F3NO — CID 19773665

IUPAC5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol
SMILESNc1ccc(CCCC(O)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(16)3-1-2-8-4-6-9(15)7-5-8/h4-7,10,16H,1-3,15H2
InChIKeyZROMSNJVZWHGLJ-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.51
Rot. Bonds4

About 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol

5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol (PubChem CID 19773665) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol
PubChem CID19773665
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol
SMILESNc1ccc(CCCC(O)C(F)(F)F)cc1
InChIInChI=1S/C11H14F3NO/c12-11(13,14)10(16)3-1-2-8-4-6-9(15)7-5-8/h4-7,10,16H,1-3,15H2
InChIKeyZROMSNJVZWHGLJ-UHFFFAOYSA-N
XLogP2.51
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol (CID 19773665) is 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol is Nc1ccc(CCCC(O)C(F)(F)F)cc1.
What is the InChIKey of 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is ZROMSNJVZWHGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c12-11(13,14)10(16)3-1-2-8-4-6-9(15)7-5-8/h4-7,10,16H,1-3,15H2.
What are the key properties of 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol?
5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 233.23 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 19773665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).