2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone

C11H7F6N3O3 — CID 22106688

IUPAC2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone
SMILESCc1coc(C(=O)C(F)(F)F)n1.O=C(n1ccnc1)C(F)(F)F
InChIInChI=1S/C6H4F3NO2.C5H3F3N2O/c1-3-2-12-5(10-3)4(11)6(7,8)9;6-5(7,8)4(11)10-2-1-9-3-10/h2H,1H3;1-3H
InChIKeyRNHWYFKFSXUHSD-UHFFFAOYSA-N
MW343.18 g/mol
LogP2.81
Rot. Bonds1

About 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone

2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone (PubChem CID 22106688) has the molecular formula C11H7F6N3O3 and a molecular weight of 343.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone
PubChem CID22106688
Molecular FormulaC11H7F6N3O3
Molecular Weight343.18 g/mol
Exact Mass343.04
IUPAC Name2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone
SMILESCc1coc(C(=O)C(F)(F)F)n1.O=C(n1ccnc1)C(F)(F)F
InChIInChI=1S/C6H4F3NO2.C5H3F3N2O/c1-3-2-12-5(10-3)4(11)6(7,8)9;6-5(7,8)4(11)10-2-1-9-3-10/h2H,1H3;1-3H
InChIKeyRNHWYFKFSXUHSD-UHFFFAOYSA-N
XLogP2.81
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.18
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone (CID 22106688) is 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone is Cc1coc(C(=O)C(F)(F)F)n1.O=C(n1ccnc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
The InChIKey is RNHWYFKFSXUHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO2.C5H3F3N2O/c1-3-2-12-5(10-3)4(11)6(7,8)9;6-5(7,8)4(11)10-2-1-9-3-10/h2H,1H3;1-3H.
What are the key properties of 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone?
2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone has a molecular weight of 343.18 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-imidazol-1-ylethanone;2,2,2-trifluoro-1-(4-methyl-1,3-oxazol-2-yl)ethanone is sourced from PubChem (CID 22106688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).