3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one

C15H9F4NO2 — CID 143881263

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one
SMILESCc1cc2c(=O)oc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1
InChIInChI=1S/C15H9F4NO2/c1-8-4-12-14(21)22-13(7-20(12)6-8)9-2-3-11(16)10(5-9)15(17,18)19/h2-7H,1H3
InChIKeyMAPFJRBKJQJKOP-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.03
Rot. Bonds1

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one

3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one (PubChem CID 143881263) has the molecular formula C15H9F4NO2 and a molecular weight of 311.23 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one
PubChem CID143881263
Molecular FormulaC15H9F4NO2
Molecular Weight311.23 g/mol
Exact Mass311.06
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one
SMILESCc1cc2c(=O)oc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1
InChIInChI=1S/C15H9F4NO2/c1-8-4-12-14(21)22-13(7-20(12)6-8)9-2-3-11(16)10(5-9)15(17,18)19/h2-7H,1H3
InChIKeyMAPFJRBKJQJKOP-UHFFFAOYSA-N
XLogP4.03
TPSA34.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one (CID 143881263) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one is Cc1cc2c(=O)oc(-c3ccc(F)c(C(F)(F)F)c3)cn2c1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one?
The InChIKey is MAPFJRBKJQJKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4NO2/c1-8-4-12-14(21)22-13(7-20(12)6-8)9-2-3-11(16)10(5-9)15(17,18)19/h2-7H,1H3.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one?
3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one has a molecular weight of 311.23 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-7-methylpyrrolo[2,1-c][1,4]oxazin-1-one is sourced from PubChem (CID 143881263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).