2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

C14H13F3N2O — CID 102707451

IUPAC2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESNCC(O)(c1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-6-7-19-8-12(11)13(20,9-18)10-4-2-1-3-5-10/h1-8,20H,9,18H2
InChIKeyHQYKHICKQMJTOU-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.30
Rot. Bonds3

About 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol

2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (PubChem CID 102707451) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
PubChem CID102707451
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol
SMILESNCC(O)(c1ccccc1)c1cnccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)11-6-7-19-8-12(11)13(20,9-18)10-4-2-1-3-5-10/h1-8,20H,9,18H2
InChIKeyHQYKHICKQMJTOU-UHFFFAOYSA-N
XLogP2.30
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The IUPAC name of 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol (CID 102707451) is 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The canonical SMILES for 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is NCC(O)(c1ccccc1)c1cnccc1C(F)(F)F.
What is the InChIKey of 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
The InChIKey is HQYKHICKQMJTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)11-6-7-19-8-12(11)13(20,9-18)10-4-2-1-3-5-10/h1-8,20H,9,18H2.
What are the key properties of 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol?
2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol has a molecular weight of 282.26 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 102707451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).