3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one

C17H17F3N2O2 — CID 143378735

IUPAC3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one
SMILESCC1=C(C)N(CCO)Cc2ccc3[nH]c(=O)cc(C(F)(F)F)c3c21
InChIInChI=1S/C17H17F3N2O2/c1-9-10(2)22(5-6-23)8-11-3-4-13-16(15(9)11)12(17(18,19)20)7-14(24)21-13/h3-4,7,23H,5-6,8H2,1-2H3,(H,21,24)
InChIKeyIGBTXSTVQFPQTR-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.11
Rot. Bonds2

About 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one

3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one (PubChem CID 143378735) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one
PubChem CID143378735
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one
SMILESCC1=C(C)N(CCO)Cc2ccc3[nH]c(=O)cc(C(F)(F)F)c3c21
InChIInChI=1S/C17H17F3N2O2/c1-9-10(2)22(5-6-23)8-11-3-4-13-16(15(9)11)12(17(18,19)20)7-14(24)21-13/h3-4,7,23H,5-6,8H2,1-2H3,(H,21,24)
InChIKeyIGBTXSTVQFPQTR-UHFFFAOYSA-N
XLogP3.11
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one?
The IUPAC name of 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one (CID 143378735) is 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one?
The canonical SMILES for 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one is CC1=C(C)N(CCO)Cc2ccc3[nH]c(=O)cc(C(F)(F)F)c3c21.
What is the InChIKey of 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one?
The InChIKey is IGBTXSTVQFPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-9-10(2)22(5-6-23)8-11-3-4-13-16(15(9)11)12(17(18,19)20)7-14(24)21-13/h3-4,7,23H,5-6,8H2,1-2H3,(H,21,24).
What are the key properties of 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one?
3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one has a molecular weight of 338.33 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-1,2-dimethyl-10-(trifluoromethyl)-4,7-dihydro-3,7-phenanthrolin-8-one is sourced from PubChem (CID 143378735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).