1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol

C14H12F3NO — CID 67172209

IUPAC1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol
SMILESNc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(19,10-4-2-1-3-5-10)11-6-8-12(18)9-7-11/h1-9,19H,18H2
InChIKeyRMUWAYOPNDFETK-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.07
Rot. Bonds2

About 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol

1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol (PubChem CID 67172209) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol
PubChem CID67172209
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol
SMILESNc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(19,10-4-2-1-3-5-10)11-6-8-12(18)9-7-11/h1-9,19H,18H2
InChIKeyRMUWAYOPNDFETK-UHFFFAOYSA-N
XLogP3.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.07
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 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol?
The IUPAC name of 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol (CID 67172209) is 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol?
The canonical SMILES for 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol is Nc1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol?
The InChIKey is RMUWAYOPNDFETK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)13(19,10-4-2-1-3-5-10)11-6-8-12(18)9-7-11/h1-9,19H,18H2.
What are the key properties of 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol?
1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol has a molecular weight of 267.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2,2,2-trifluoro-1-phenylethanol is sourced from PubChem (CID 67172209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).