N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide

C16H18F3NO3 — CID 71981912

IUPACN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide
SMILESO=C(NCC1CCC2(CC1)OCCO2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H18F3NO3/c17-11-7-12(18)14(13(19)8-11)15(21)20-9-10-1-3-16(4-2-10)22-5-6-23-16/h7-8,10H,1-6,9H2,(H,20,21)
InChIKeyUKFDXSTZGDKVFP-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.77
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide

N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide (PubChem CID 71981912) has the molecular formula C16H18F3NO3 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide
PubChem CID71981912
Molecular FormulaC16H18F3NO3
Molecular Weight329.32 g/mol
Exact Mass329.12
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide
SMILESO=C(NCC1CCC2(CC1)OCCO2)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H18F3NO3/c17-11-7-12(18)14(13(19)8-11)15(21)20-9-10-1-3-16(4-2-10)22-5-6-23-16/h7-8,10H,1-6,9H2,(H,20,21)
InChIKeyUKFDXSTZGDKVFP-UHFFFAOYSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.77
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-ylmethyl)-2,4,6-trifluorobenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide (CID 71981912) is N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide is O=C(NCC1CCC2(CC1)OCCO2)c1c(F)cc(F)cc1F.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide?
The InChIKey is UKFDXSTZGDKVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO3/c17-11-7-12(18)14(13(19)8-11)15(21)20-9-10-1-3-16(4-2-10)22-5-6-23-16/h7-8,10H,1-6,9H2,(H,20,21).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide?
N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,4,6-trifluorobenzamide has a molecular weight of 329.32 g/mol, XLogP of 2.77, 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-ylmethyl)-2,4,6-trifluorobenzamide is sourced from PubChem (CID 71981912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).