3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide

C14H23F2NO4 — CID 103208507

IUPAC3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide
SMILESCN(C(=O)CCOCC(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23F2NO4/c1-17(13(18)4-7-19-10-12(15)16)11-2-5-14(6-3-11)20-8-9-21-14/h11-12H,2-10H2,1H3
InChIKeyJQYHFCVONFVCGR-UHFFFAOYSA-N
MW307.34 g/mol
LogP1.80
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide

3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide (PubChem CID 103208507) has the molecular formula C14H23F2NO4 and a molecular weight of 307.34 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide
PubChem CID103208507
Molecular FormulaC14H23F2NO4
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Name3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide
SMILESCN(C(=O)CCOCC(F)F)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H23F2NO4/c1-17(13(18)4-7-19-10-12(15)16)11-2-5-14(6-3-11)20-8-9-21-14/h11-12H,2-10H2,1H3
InChIKeyJQYHFCVONFVCGR-UHFFFAOYSA-N
XLogP1.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide (CID 103208507) is 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide is CN(C(=O)CCOCC(F)F)C1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide?
The InChIKey is JQYHFCVONFVCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO4/c1-17(13(18)4-7-19-10-12(15)16)11-2-5-14(6-3-11)20-8-9-21-14/h11-12H,2-10H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide?
3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide has a molecular weight of 307.34 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylpropanamide is sourced from PubChem (CID 103208507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).