2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide

C17H20F3NO3 — CID 58842290

IUPAC2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide
SMILESO=C(NCC1(c2ccccc2)CCC2(CC1)OCCO2)C(F)(F)F
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)14(22)21-12-15(13-4-2-1-3-5-13)6-8-16(9-7-15)23-10-11-24-16/h1-5H,6-12H2,(H,21,22)
InChIKeyOFRTZNMWFHSSRD-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.92
Rot. Bonds3

About 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide

2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide (PubChem CID 58842290) has the molecular formula C17H20F3NO3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide
PubChem CID58842290
Molecular FormulaC17H20F3NO3
Molecular Weight343.34 g/mol
Exact Mass343.14
IUPAC Name2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide
SMILESO=C(NCC1(c2ccccc2)CCC2(CC1)OCCO2)C(F)(F)F
InChIInChI=1S/C17H20F3NO3/c18-17(19,20)14(22)21-12-15(13-4-2-1-3-5-13)6-8-16(9-7-15)23-10-11-24-16/h1-5H,6-12H2,(H,21,22)
InChIKeyOFRTZNMWFHSSRD-UHFFFAOYSA-N
XLogP2.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide (CID 58842290) is 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide is O=C(NCC1(c2ccccc2)CCC2(CC1)OCCO2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide?
The InChIKey is OFRTZNMWFHSSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO3/c18-17(19,20)14(22)21-12-15(13-4-2-1-3-5-13)6-8-16(9-7-15)23-10-11-24-16/h1-5H,6-12H2,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide?
2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide has a molecular weight of 343.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(8-phenyl-1,4-dioxaspiro[4.5]decan-8-yl)methyl]acetamide is sourced from PubChem (CID 58842290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).