N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide

C11H17F2NO3 — CID 103513801

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide
SMILESCN(C(=O)C(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H17F2NO3/c1-14(10(15)9(12)13)8-2-4-11(5-3-8)16-6-7-17-11/h8-9H,2-7H2,1H3
InChIKeyAJJIPBCAAKEMIF-UHFFFAOYSA-N
MW249.26 g/mol
LogP1.40
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide (PubChem CID 103513801) has the molecular formula C11H17F2NO3 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide
PubChem CID103513801
Molecular FormulaC11H17F2NO3
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide
SMILESCN(C(=O)C(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C11H17F2NO3/c1-14(10(15)9(12)13)8-2-4-11(5-3-8)16-6-7-17-11/h8-9H,2-7H2,1H3
InChIKeyAJJIPBCAAKEMIF-UHFFFAOYSA-N
XLogP1.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide (CID 103513801) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide is CN(C(=O)C(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide?
The InChIKey is AJJIPBCAAKEMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO3/c1-14(10(15)9(12)13)8-2-4-11(5-3-8)16-6-7-17-11/h8-9H,2-7H2,1H3.
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide has a molecular weight of 249.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-8-yl)-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 103513801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).