7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one

C11H10FNO2 — CID 115097478

IUPAC7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
SMILESO=C1Nc2ccc(F)cc2OC12CCC2
InChIInChI=1S/C11H10FNO2/c12-7-2-3-8-9(6-7)15-11(4-1-5-11)10(14)13-8/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyVWKGQLGZENLYTM-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.08
Rot. Bonds

About 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one

7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one (PubChem CID 115097478) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one.

Molecular Properties

Compound Name7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
PubChem CID115097478
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
SMILESO=C1Nc2ccc(F)cc2OC12CCC2
InChIInChI=1S/C11H10FNO2/c12-7-2-3-8-9(6-7)15-11(4-1-5-11)10(14)13-8/h2-3,6H,1,4-5H2,(H,13,14)
InChIKeyVWKGQLGZENLYTM-UHFFFAOYSA-N
XLogP2.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one?
The IUPAC name of 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one (CID 115097478) is 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one.
What is the SMILES notation for 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one?
The canonical SMILES for 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one is O=C1Nc2ccc(F)cc2OC12CCC2.
What is the InChIKey of 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one?
The InChIKey is VWKGQLGZENLYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-7-2-3-8-9(6-7)15-11(4-1-5-11)10(14)13-8/h2-3,6H,1,4-5H2,(H,13,14).
What are the key properties of 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one?
7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one has a molecular weight of 207.20 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one is sourced from PubChem (CID 115097478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).