3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C20H10F7N3O — CID 142401383

IUPAC3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)c(F)c1
InChIInChI=1S/C20H10F7N3O/c21-14-7-12(31)4-5-13(14)17-18(20(25,26)27)29-16-8-28-15(9-30(16)17)10-2-1-3-11(6-10)19(22,23)24/h1-9,31H
InChIKeyFWHRHFLMBINQCU-UHFFFAOYSA-N
MW441.31 g/mol
LogP5.95
Rot. Bonds2

About 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 142401383) has the molecular formula C20H10F7N3O and a molecular weight of 441.31 g/mol. Its IUPAC name is 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID142401383
Molecular FormulaC20H10F7N3O
Molecular Weight441.31 g/mol
Exact Mass441.07
IUPAC Name3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESOc1ccc(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)c(F)c1
InChIInChI=1S/C20H10F7N3O/c21-14-7-12(31)4-5-13(14)17-18(20(25,26)27)29-16-8-28-15(9-30(16)17)10-2-1-3-11(6-10)19(22,23)24/h1-9,31H
InChIKeyFWHRHFLMBINQCU-UHFFFAOYSA-N
XLogP5.95
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.31
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 142401383) is 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is Oc1ccc(-c2c(C(F)(F)F)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is FWHRHFLMBINQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F7N3O/c21-14-7-12(31)4-5-13(14)17-18(20(25,26)27)29-16-8-28-15(9-30(16)17)10-2-1-3-11(6-10)19(22,23)24/h1-9,31H.
What are the key properties of 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 441.31 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 142401383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).