N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

C18H22F3NO3 — CID 90653462

IUPACN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H22F3NO3/c19-18(20,21)15-4-2-1-3-13(15)11-16(23)22-14-5-8-25-17(12-14)6-9-24-10-7-17/h1-4,14H,5-12H2,(H,22,23)
InChIKeyPIHWJWUYKHRWPA-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.09
Rot. Bonds3

About N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide

N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 90653462) has the molecular formula C18H22F3NO3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID90653462
Molecular FormulaC18H22F3NO3
Molecular Weight357.37 g/mol
Exact Mass357.16
IUPAC NameN-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1C(F)(F)F)NC1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H22F3NO3/c19-18(20,21)15-4-2-1-3-13(15)11-16(23)22-14-5-8-25-17(12-14)6-9-24-10-7-17/h1-4,14H,5-12H2,(H,22,23)
InChIKeyPIHWJWUYKHRWPA-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide (CID 90653462) is N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cc1ccccc1C(F)(F)F)NC1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is PIHWJWUYKHRWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO3/c19-18(20,21)15-4-2-1-3-13(15)11-16(23)22-14-5-8-25-17(12-14)6-9-24-10-7-17/h1-4,14H,5-12H2,(H,22,23).
What are the key properties of N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide?
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 357.37 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90653462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).