N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide

C12H18F3NO3 — CID 79035733

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)6-3-10(17)16-9-1-4-11(5-2-9)18-7-8-19-11/h9H,1-8H2,(H,16,17)
InChIKeyBBDVMMPGWKDEQD-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.13
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide

N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide (PubChem CID 79035733) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide
PubChem CID79035733
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide
SMILESO=C(CCC(F)(F)F)NC1CCC2(CC1)OCCO2
InChIInChI=1S/C12H18F3NO3/c13-12(14,15)6-3-10(17)16-9-1-4-11(5-2-9)18-7-8-19-11/h9H,1-8H2,(H,16,17)
InChIKeyBBDVMMPGWKDEQD-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
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)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide (CID 79035733) is N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide is O=C(CCC(F)(F)F)NC1CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide?
The InChIKey is BBDVMMPGWKDEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c13-12(14,15)6-3-10(17)16-9-1-4-11(5-2-9)18-7-8-19-11/h9H,1-8H2,(H,16,17).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide?
N-(1,4-dioxaspiro[4.5]decan-8-yl)-4,4,4-trifluorobutanamide has a molecular weight of 281.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 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)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 79035733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).