6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile

C11H7FN2O2 — CID 118193976

IUPAC6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile
SMILESN#Cc1cc2c(cc1F)NC(=O)C1(CC1)O2
InChIInChI=1S/C11H7FN2O2/c12-7-4-8-9(3-6(7)5-13)16-11(1-2-11)10(15)14-8/h3-4H,1-2H2,(H,14,15)
InChIKeyZFGAYRJWXSWUSQ-UHFFFAOYSA-N
MW218.19 g/mol
LogP1.56
Rot. Bonds

About 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile

6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile (PubChem CID 118193976) has the molecular formula C11H7FN2O2 and a molecular weight of 218.19 g/mol. Its IUPAC name is 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile.

Molecular Properties

Compound Name6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile
PubChem CID118193976
Molecular FormulaC11H7FN2O2
Molecular Weight218.19 g/mol
Exact Mass218.05
IUPAC Name6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile
SMILESN#Cc1cc2c(cc1F)NC(=O)C1(CC1)O2
InChIInChI=1S/C11H7FN2O2/c12-7-4-8-9(3-6(7)5-13)16-11(1-2-11)10(15)14-8/h3-4H,1-2H2,(H,14,15)
InChIKeyZFGAYRJWXSWUSQ-UHFFFAOYSA-N
XLogP1.56
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile?
The IUPAC name of 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile (CID 118193976) is 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile.
What is the SMILES notation for 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile?
The canonical SMILES for 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile is N#Cc1cc2c(cc1F)NC(=O)C1(CC1)O2.
What is the InChIKey of 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile?
The InChIKey is ZFGAYRJWXSWUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O2/c12-7-4-8-9(3-6(7)5-13)16-11(1-2-11)10(15)14-8/h3-4H,1-2H2,(H,14,15).
What are the key properties of 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile?
6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile has a molecular weight of 218.19 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile is sourced from PubChem (CID 118193976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).