N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide

C14H20F3NO2 — CID 78884697

IUPACN-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)7-20-6-12(19)18-13-10-2-8-1-9(4-10)5-11(13)3-8/h8-11,13H,1-7H2,(H,18,19)
InChIKeyNSRKKWDUNXFVHA-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.51
Rot. Bonds4

About N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 78884697) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID78884697
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H20F3NO2/c15-14(16,17)7-20-6-12(19)18-13-10-2-8-1-9(4-10)5-11(13)3-8/h8-11,13H,1-7H2,(H,18,19)
InChIKeyNSRKKWDUNXFVHA-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 78884697) is N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is NSRKKWDUNXFVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c15-14(16,17)7-20-6-12(19)18-13-10-2-8-1-9(4-10)5-11(13)3-8/h8-11,13H,1-7H2,(H,18,19).
What are the key properties of N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 291.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 78884697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).