N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide

C16H17F4NO3 — CID 99775306

IUPACN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide
SMILESO=C(NCC1CCC2(CC1)OCCO2)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H17F4NO3/c17-10-7-11(18)14(20)12(13(10)19)15(22)21-8-9-1-3-16(4-2-9)23-5-6-24-16/h7,9H,1-6,8H2,(H,21,22)
InChIKeyQTRFVIBXSYOYMR-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.91
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide

N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide (PubChem CID 99775306) has the molecular formula C16H17F4NO3 and a molecular weight of 347.31 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide
PubChem CID99775306
Molecular FormulaC16H17F4NO3
Molecular Weight347.31 g/mol
Exact Mass347.11
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide
SMILESO=C(NCC1CCC2(CC1)OCCO2)c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H17F4NO3/c17-10-7-11(18)14(20)12(13(10)19)15(22)21-8-9-1-3-16(4-2-9)23-5-6-24-16/h7,9H,1-6,8H2,(H,21,22)
InChIKeyQTRFVIBXSYOYMR-UHFFFAOYSA-N
XLogP2.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide (CID 99775306) is N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide is O=C(NCC1CCC2(CC1)OCCO2)c1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide?
The InChIKey is QTRFVIBXSYOYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4NO3/c17-10-7-11(18)14(20)12(13(10)19)15(22)21-8-9-1-3-16(4-2-9)23-5-6-24-16/h7,9H,1-6,8H2,(H,21,22).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide?
N-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-2,3,5,6-tetrafluorobenzamide has a molecular weight of 347.31 g/mol, XLogP of 2.91, 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)-2,3,5,6-tetrafluorobenzamide is sourced from PubChem (CID 99775306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).