8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane

C13H15F2NO2 — CID 20770651

IUPAC8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(N2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-12(11(15)9-10)16-5-3-13(4-6-16)17-7-8-18-13/h1-2,9H,3-8H2
InChIKeyKKGQSDSVVXOSRM-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.31
Rot. Bonds1

About 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 20770651) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID20770651
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(N2CCC3(CC2)OCCO3)c(F)c1
InChIInChI=1S/C13H15F2NO2/c14-10-1-2-12(11(15)9-10)16-5-3-13(4-6-16)17-7-8-18-13/h1-2,9H,3-8H2
InChIKeyKKGQSDSVVXOSRM-UHFFFAOYSA-N
XLogP2.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-Fluorophenyl)morpholine
CID 11355855
8-(3,5-Difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610159
4-(3-Fluorophenyl)morpholine
CID 418747
N-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide
CID 969929
N-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 2242080
4-(2-Fluorophenyl)morpholine
CID 12195452
1-(2-Fluorophenyl)-4-methoxypiperidine
CID 15403847
8-(2,6-Difluoro-4-nitrophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 58031978
4-(3,5-Difluorophenyl)morpholine
CID 59526391
4-(2,5-Difluorophenyl)morpholine
CID 82538161
8-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 130225558
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(3-fluorophenyl)acetamide
CID 35425223

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane (CID 20770651) is 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(N2CCC3(CC2)OCCO3)c(F)c1.
What is the InChIKey of 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is KKGQSDSVVXOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-10-1-2-12(11(15)9-10)16-5-3-13(4-6-16)17-7-8-18-13/h1-2,9H,3-8H2.
What are the key properties of 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 255.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 20770651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).