8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one

C12H13FN2O2 — CID 117103664

IUPAC8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
SMILESO=C1Nc2c(F)cccc2C2(CCCNC2)O1
InChIInChI=1S/C12H13FN2O2/c13-9-4-1-3-8-10(9)15-11(16)17-12(8)5-2-6-14-7-12/h1,3-4,14H,2,5-7H2,(H,15,16)
InChIKeySXNDQILZCBJXSU-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.97
Rot. Bonds

About 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one

8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one (PubChem CID 117103664) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one.

Molecular Properties

Compound Name8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
PubChem CID117103664
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
SMILESO=C1Nc2c(F)cccc2C2(CCCNC2)O1
InChIInChI=1S/C12H13FN2O2/c13-9-4-1-3-8-10(9)15-11(16)17-12(8)5-2-6-14-7-12/h1,3-4,14H,2,5-7H2,(H,15,16)
InChIKeySXNDQILZCBJXSU-UHFFFAOYSA-N
XLogP1.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxyspiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84684567
5-hydroxyspiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one
CID 117103646
7-fluorospiro[1H-indole-3,4'-piperidine]-2-one
CID 84623509
4-bromospiro[2-benzofuran-3,3'-piperidine]-1-one
CID 84715163
(3S)-7-fluorospiro[1,2-dihydroindene-3,3'-piperidine]
CID 97290270
7-fluorospiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 83830130
7-fluorospiro[1-benzofuran-3,4'-piperidine]-2-one
CID 117126986
7-fluoro-2'-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 106702100
(3R)-7-[2-(4-bromo-2-fluorophenyl)-2-hydroxybutanoyl]spiro[2-benzofuran-3,3'-pyrrolidine]-1-one
CID 90826001
(1S,3S)-3-methoxyspiro[3,4-dihydroisochromene-1,3'-piperidine]
CID 44515417
2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one;hydrochloride
CID 45074394
4-(3-fluoropiperidin-3-yl)-1H-indole
CID 112563033

Frequently Asked Questions

What is the IUPAC name of 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
The IUPAC name of 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one (CID 117103664) is 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one.
What is the SMILES notation for 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
The canonical SMILES for 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one is O=C1Nc2c(F)cccc2C2(CCCNC2)O1.
What is the InChIKey of 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
The InChIKey is SXNDQILZCBJXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-4-1-3-8-10(9)15-11(16)17-12(8)5-2-6-14-7-12/h1,3-4,14H,2,5-7H2,(H,15,16).
What are the key properties of 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one?
8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one has a molecular weight of 236.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluorospiro[1H-3,1-benzoxazine-4,3'-piperidine]-2-one is sourced from PubChem (CID 117103664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).