1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

C15H13F4NO — CID 82683165

IUPAC1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESNc1ccc(F)cc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c16-11-5-6-13(20)12(8-11)14(21)7-9-1-3-10(4-2-9)15(17,18)19/h1-6,8,14,21H,7,20H2
InChIKeyVFLSFVLWPYJRFJ-UHFFFAOYSA-N
MW299.27 g/mol
LogP3.70
Rot. Bonds3

About 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol

1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 82683165) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID82683165
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESNc1ccc(F)cc1C(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c16-11-5-6-13(20)12(8-11)14(21)7-9-1-3-10(4-2-9)15(17,18)19/h1-6,8,14,21H,7,20H2
InChIKeyVFLSFVLWPYJRFJ-UHFFFAOYSA-N
XLogP3.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-5-(trifluoromethyl)phenyl]-2-(4-iodophenyl)ethanol
CID 115911644
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
1-[2-amino-5-(trifluoromethyl)phenyl]-2-(2-fluorophenyl)ethanol
CID 115911628
1-(2-amino-5-fluorophenyl)-2-(3-methylphenyl)ethanol
CID 82684970
1-(2-amino-5-fluorophenyl)-2-(2-bromo-4-fluorophenyl)ethanol
CID 82684547
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
1-(2-amino-5-fluorophenyl)-3-methylbutan-1-ol
CID 82685546
1-(2-amino-5-fluorophenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 82685101
1-(2-amino-5-fluorophenyl)-2-methoxyethanol
CID 82685227
2-amino-3-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 22261902
2-(4-tert-butylphenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 65150242
1-(2-amino-5-fluorophenyl)-2-(2-amino-3-pyridinyl)ethanol
CID 82684971

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol (CID 82683165) is 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is Nc1ccc(F)cc1C(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is VFLSFVLWPYJRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-11-5-6-13(20)12(8-11)14(21)7-9-1-3-10(4-2-9)15(17,18)19/h1-6,8,14,21H,7,20H2.
What are the key properties of 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol?
1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 299.27 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 82683165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).