2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol

C15H14F3NO — CID 122622472

IUPAC2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol
SMILESNc1ccc(C(O)(Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)14(20,10-11-4-2-1-3-5-11)12-6-8-13(19)9-7-12/h1-9,20H,10,19H2
InChIKeyVNXWEXVWVXYICI-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.26
Rot. Bonds3

About 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol

2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol (PubChem CID 122622472) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol.

Molecular Properties

Compound Name2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol
PubChem CID122622472
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol
SMILESNc1ccc(C(O)(Cc2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C15H14F3NO/c16-15(17,18)14(20,10-11-4-2-1-3-5-11)12-6-8-13(19)9-7-12/h1-9,20H,10,19H2
InChIKeyVNXWEXVWVXYICI-UHFFFAOYSA-N
XLogP3.26
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The IUPAC name of 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol (CID 122622472) is 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol.
What is the SMILES notation for 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The canonical SMILES for 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol is Nc1ccc(C(O)(Cc2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol?
The InChIKey is VNXWEXVWVXYICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c16-15(17,18)14(20,10-11-4-2-1-3-5-11)12-6-8-13(19)9-7-12/h1-9,20H,10,19H2.
What are the key properties of 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol?
2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol has a molecular weight of 281.28 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1,1,1-trifluoro-3-phenylpropan-2-ol is sourced from PubChem (CID 122622472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).