9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane

C12H15ClFN3O — CID 172608303

IUPAC9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(Cl)nc1N1CCOC2(CCCC2)C1
InChIInChI=1S/C12H15ClFN3O/c13-11-15-7-9(14)10(16-11)17-5-6-18-12(8-17)3-1-2-4-12/h7H,1-6,8H2
InChIKeyZNEFCUBFRBUHJN-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.42
Rot. Bonds1

About 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane

9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane (PubChem CID 172608303) has the molecular formula C12H15ClFN3O and a molecular weight of 271.72 g/mol. Its IUPAC name is 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
PubChem CID172608303
Molecular FormulaC12H15ClFN3O
Molecular Weight271.72 g/mol
Exact Mass271.09
IUPAC Name9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane
SMILESFc1cnc(Cl)nc1N1CCOC2(CCCC2)C1
InChIInChI=1S/C12H15ClFN3O/c13-11-15-7-9(14)10(16-11)17-5-6-18-12(8-17)3-1-2-4-12/h7H,1-6,8H2
InChIKeyZNEFCUBFRBUHJN-UHFFFAOYSA-N
XLogP2.42
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane (CID 172608303) is 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane is Fc1cnc(Cl)nc1N1CCOC2(CCCC2)C1.
What is the InChIKey of 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
The InChIKey is ZNEFCUBFRBUHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN3O/c13-11-15-7-9(14)10(16-11)17-5-6-18-12(8-17)3-1-2-4-12/h7H,1-6,8H2.
What are the key properties of 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane?
9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane has a molecular weight of 271.72 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-chloro-5-fluoropyrimidin-4-yl)-6-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 172608303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).