(3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C14H15F2NO3 — CID 35436100

IUPAC(3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H15F2NO3/c15-11-7-10(8-12(16)9-11)13(18)17-3-1-14(2-4-17)19-5-6-20-14/h7-9H,1-6H2
InChIKeyKXLNQZLZWLVGQN-UHFFFAOYSA-N
MW283.27 g/mol
LogP1.94
Rot. Bonds1

About (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 35436100) has the molecular formula C14H15F2NO3 and a molecular weight of 283.27 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID35436100
Molecular FormulaC14H15F2NO3
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name(3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1cc(F)cc(F)c1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C14H15F2NO3/c15-11-7-10(8-12(16)9-11)13(18)17-3-1-14(2-4-17)19-5-6-20-14/h7-9H,1-6H2
InChIKeyKXLNQZLZWLVGQN-UHFFFAOYSA-N
XLogP1.94
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 35436100) is (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)OCCO2.
What is the InChIKey of (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is KXLNQZLZWLVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO3/c15-11-7-10(8-12(16)9-11)13(18)17-3-1-14(2-4-17)19-5-6-20-14/h7-9H,1-6H2.
What are the key properties of (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 283.27 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 35436100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).