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

C14H10F3NO3 — CID 22015922

IUPAC2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)13(19,10-4-2-1-3-5-10)11-6-8-12(9-7-11)18(20)21/h1-9,19H
InChIKeyLQRATIKILZCARX-UHFFFAOYSA-N
MW297.23 g/mol
LogP3.39
Rot. Bonds3

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

2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol (PubChem CID 22015922) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol
PubChem CID22015922
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol
SMILESO=[N+]([O-])c1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)13(19,10-4-2-1-3-5-10)11-6-8-12(9-7-11)18(20)21/h1-9,19H
InChIKeyLQRATIKILZCARX-UHFFFAOYSA-N
XLogP3.39
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol (CID 22015922) is 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol is O=[N+]([O-])c1ccc(C(O)(c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol?
The InChIKey is LQRATIKILZCARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)13(19,10-4-2-1-3-5-10)11-6-8-12(9-7-11)18(20)21/h1-9,19H.
What are the key properties of 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol?
2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol has a molecular weight of 297.23 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-nitrophenyl)-1-phenylethanol is sourced from PubChem (CID 22015922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).