4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]

C13H13F2NO — CID 58233770

IUPAC4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]
SMILESFC1(F)CCC2(C=Cc3cccnc3O2)CC1
InChIInChI=1S/C13H13F2NO/c14-13(15)7-5-12(6-8-13)4-3-10-2-1-9-16-11(10)17-12/h1-4,9H,5-8H2
InChIKeyFUJLGGBTYLWPOY-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.44
Rot. Bonds

About 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]

4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine] (PubChem CID 58233770) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine].

Molecular Properties

Compound Name4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]
PubChem CID58233770
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]
SMILESFC1(F)CCC2(C=Cc3cccnc3O2)CC1
InChIInChI=1S/C13H13F2NO/c14-13(15)7-5-12(6-8-13)4-3-10-2-1-9-16-11(10)17-12/h1-4,9H,5-8H2
InChIKeyFUJLGGBTYLWPOY-UHFFFAOYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]?
The IUPAC name of 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine] (CID 58233770) is 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine].
What is the SMILES notation for 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]?
The canonical SMILES for 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine] is FC1(F)CCC2(C=Cc3cccnc3O2)CC1.
What is the InChIKey of 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]?
The InChIKey is FUJLGGBTYLWPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c14-13(15)7-5-12(6-8-13)4-3-10-2-1-9-16-11(10)17-12/h1-4,9H,5-8H2.
What are the key properties of 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]?
4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine] has a molecular weight of 237.25 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine] is sourced from PubChem (CID 58233770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).