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

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Related Compounds

7-methylspiro[4H-1,4-benzoxazine-2,1'-cyclohexane]-3-one
CID 115098131
7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097111
6-fluorospiro[1-benzofuran-2,1'-cyclopropane]-3-one
CID 58082962
6-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-7-carbonitrile
CID 118193976
6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097029
8-methoxyspiro[4H-1,4-benzoxazine-2,1'-cyclobutane]-3-one
CID 115097204
4-amino-9-fluoro-2,3,4,6-tetrahydro-1,6-benzoxazocin-5-one
CID 117246884
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
6-bromospiro[4H-pyrido[3,2-b][1,4]oxazine-2,1'-cyclobutane]-3-one
CID 167003441
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
6-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 72698788
2-oxospiro[1H-pyrido[2,3-b][1,4]oxazine-3,1'-cyclobutane]-7-carboxylic acid
CID 167003127

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).