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

C14H12F4N2O — CID 60503246

IUPAC1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOC(CNc1ncccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H12F4N2O/c15-10-5-3-9(4-6-10)12(21)8-20-13-11(14(16,17)18)2-1-7-19-13/h1-7,12,21H,8H2,(H,19,20)
InChIKeyLMJBDUSCIINKEX-UHFFFAOYSA-N
MW300.26 g/mol
LogP3.38
Rot. Bonds4

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

1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol (PubChem CID 60503246) has the molecular formula C14H12F4N2O and a molecular weight of 300.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
PubChem CID60503246
Molecular FormulaC14H12F4N2O
Molecular Weight300.26 g/mol
Exact Mass300.09
IUPAC Name1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol
SMILESOC(CNc1ncccc1C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H12F4N2O/c15-10-5-3-9(4-6-10)12(21)8-20-13-11(14(16,17)18)2-1-7-19-13/h1-7,12,21H,8H2,(H,19,20)
InChIKeyLMJBDUSCIINKEX-UHFFFAOYSA-N
XLogP3.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol (CID 60503246) is 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol is OC(CNc1ncccc1C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
The InChIKey is LMJBDUSCIINKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c15-10-5-3-9(4-6-10)12(21)8-20-13-11(14(16,17)18)2-1-7-19-13/h1-7,12,21H,8H2,(H,19,20).
What are the key properties of 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol?
1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol has a molecular weight of 300.26 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]ethanol is sourced from PubChem (CID 60503246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).