2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]

C9H8ClF2N3O — CID 118246423

IUPAC2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
SMILESFC1(F)CC2(COc3cnc(Cl)nc3N2)C1
InChIInChI=1S/C9H8ClF2N3O/c10-7-13-1-5-6(14-7)15-8(4-16-5)2-9(11,12)3-8/h1H,2-4H2,(H,13,14,15)
InChIKeyVZZQHNCWWRCYML-UHFFFAOYSA-N
MW247.63 g/mol
LogP2.10
Rot. Bonds

About 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]

2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] (PubChem CID 118246423) has the molecular formula C9H8ClF2N3O and a molecular weight of 247.63 g/mol. Its IUPAC name is 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane].

Molecular Properties

Compound Name2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
PubChem CID118246423
Molecular FormulaC9H8ClF2N3O
Molecular Weight247.63 g/mol
Exact Mass247.03
IUPAC Name2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]
SMILESFC1(F)CC2(COc3cnc(Cl)nc3N2)C1
InChIInChI=1S/C9H8ClF2N3O/c10-7-13-1-5-6(14-7)15-8(4-16-5)2-9(11,12)3-8/h1H,2-4H2,(H,13,14,15)
InChIKeyVZZQHNCWWRCYML-UHFFFAOYSA-N
XLogP2.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.63
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The IUPAC name of 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] (CID 118246423) is 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane].
What is the SMILES notation for 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The canonical SMILES for 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] is FC1(F)CC2(COc3cnc(Cl)nc3N2)C1.
What is the InChIKey of 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
The InChIKey is VZZQHNCWWRCYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2N3O/c10-7-13-1-5-6(14-7)15-8(4-16-5)2-9(11,12)3-8/h1H,2-4H2,(H,13,14,15).
What are the key properties of 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane]?
2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] has a molecular weight of 247.63 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1',1'-difluorospiro[6,8-dihydropyrimido[5,4-b][1,4]oxazine-7,3'-cyclobutane] is sourced from PubChem (CID 118246423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).