7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane

C10H11ClFN3O — CID 172608304

IUPAC7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
SMILESFc1cnc(Cl)nc1N1CCOC2(CC2)C1
InChIInChI=1S/C10H11ClFN3O/c11-9-13-5-7(12)8(14-9)15-3-4-16-10(6-15)1-2-10/h5H,1-4,6H2
InChIKeyYSSPESNJMJIKFW-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.64
Rot. Bonds1

About 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane

7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane (PubChem CID 172608304) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
PubChem CID172608304
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
SMILESFc1cnc(Cl)nc1N1CCOC2(CC2)C1
InChIInChI=1S/C10H11ClFN3O/c11-9-13-5-7(12)8(14-9)15-3-4-16-10(6-15)1-2-10/h5H,1-4,6H2
InChIKeyYSSPESNJMJIKFW-UHFFFAOYSA-N
XLogP1.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane (CID 172608304) is 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane is Fc1cnc(Cl)nc1N1CCOC2(CC2)C1.
What is the InChIKey of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
The InChIKey is YSSPESNJMJIKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c11-9-13-5-7(12)8(14-9)15-3-4-16-10(6-15)1-2-10/h5H,1-4,6H2.
What are the key properties of 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane?
7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 243.67 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chloro-5-fluoropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 172608304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).