2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one

C11H11ClF2N4O — CID 146194952

IUPAC2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)C1(CC(F)(F)C1)N2C
InChIInChI=1S/C11H11ClF2N4O/c1-5-6-7(17-9(12)15-5)18(2)10(8(19)16-6)3-11(13,14)4-10/h3-4H2,1-2H3,(H,16,19)
InChIKeyZKWPGXMUMVOYPS-UHFFFAOYSA-N
MW288.69 g/mol
LogP1.99
Rot. Bonds

About 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one

2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one (PubChem CID 146194952) has the molecular formula C11H11ClF2N4O and a molecular weight of 288.69 g/mol. Its IUPAC name is 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one.

Molecular Properties

Compound Name2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one
PubChem CID146194952
Molecular FormulaC11H11ClF2N4O
Molecular Weight288.69 g/mol
Exact Mass288.06
IUPAC Name2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one
SMILESCc1nc(Cl)nc2c1NC(=O)C1(CC(F)(F)C1)N2C
InChIInChI=1S/C11H11ClF2N4O/c1-5-6-7(17-9(12)15-5)18(2)10(8(19)16-6)3-11(13,14)4-10/h3-4H2,1-2H3,(H,16,19)
InChIKeyZKWPGXMUMVOYPS-UHFFFAOYSA-N
XLogP1.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.69
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one?
The IUPAC name of 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one (CID 146194952) is 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one.
What is the SMILES notation for 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one?
The canonical SMILES for 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one is Cc1nc(Cl)nc2c1NC(=O)C1(CC(F)(F)C1)N2C.
What is the InChIKey of 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one?
The InChIKey is ZKWPGXMUMVOYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2N4O/c1-5-6-7(17-9(12)15-5)18(2)10(8(19)16-6)3-11(13,14)4-10/h3-4H2,1-2H3,(H,16,19).
What are the key properties of 2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one?
2-chloro-1',1'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one has a molecular weight of 288.69 g/mol, XLogP of 1.99, 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'-difluoro-4,8-dimethylspiro[5H-pteridine-7,3'-cyclobutane]-6-one is sourced from PubChem (CID 146194952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).