2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide

C18H30F3NO7 — CID 123142843

IUPAC2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide
SMILESCC(C)(CCOC1OC2(O)C(CO)C(O)C(O)C12)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C18H30F3NO7/c1-15(2,8-16(3,4)22-14(26)18(19,20)21)5-6-28-13-10-12(25)11(24)9(7-23)17(10,27)29-13/h9-13,23-25,27H,5-8H2,1-4H3,(H,22,26)
InChIKeyXFTRNHRDEDTRCC-UHFFFAOYSA-N
MW429.43 g/mol
LogP0.27
Rot. Bonds8

About 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide

2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide (PubChem CID 123142843) has the molecular formula C18H30F3NO7 and a molecular weight of 429.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide
PubChem CID123142843
Molecular FormulaC18H30F3NO7
Molecular Weight429.43 g/mol
Exact Mass429.20
IUPAC Name2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide
SMILESCC(C)(CCOC1OC2(O)C(CO)C(O)C(O)C12)CC(C)(C)NC(=O)C(F)(F)F
InChIInChI=1S/C18H30F3NO7/c1-15(2,8-16(3,4)22-14(26)18(19,20)21)5-6-28-13-10-12(25)11(24)9(7-23)17(10,27)29-13/h9-13,23-25,27H,5-8H2,1-4H3,(H,22,26)
InChIKeyXFTRNHRDEDTRCC-UHFFFAOYSA-N
XLogP0.27
TPSA128.48 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 50.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide (CID 123142843) is 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide is CC(C)(CCOC1OC2(O)C(CO)C(O)C(O)C12)CC(C)(C)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide?
The InChIKey is XFTRNHRDEDTRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F3NO7/c1-15(2,8-16(3,4)22-14(26)18(19,20)21)5-6-28-13-10-12(25)11(24)9(7-23)17(10,27)29-13/h9-13,23-25,27H,5-8H2,1-4H3,(H,22,26).
What are the key properties of 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide?
2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide has a molecular weight of 429.43 g/mol, XLogP of 0.27, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2,4,4-trimethyl-6-[[2,3,5-trihydroxy-4-(hydroxymethyl)-6-oxabicyclo[3.2.0]heptan-7-yl]oxy]hexan-2-yl]acetamide is sourced from PubChem (CID 123142843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).