N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide

C14H21F3N2O — CID 78958316

IUPACN-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CC2CC1C1CCCC21
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)7-18-6-13(20)19-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-12,18H,1-7H2,(H,19,20)
InChIKeyGECZAMJKJGZDRQ-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.08
Rot. Bonds4

About N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958316) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958316
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC NameN-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NC1CC2CC1C1CCCC21
InChIInChI=1S/C14H21F3N2O/c15-14(16,17)7-18-6-13(20)19-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-12,18H,1-7H2,(H,19,20)
InChIKeyGECZAMJKJGZDRQ-UHFFFAOYSA-N
XLogP2.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958316) is N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NC1CC2CC1C1CCCC21.
What is the InChIKey of N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is GECZAMJKJGZDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c15-14(16,17)7-18-6-13(20)19-12-5-8-4-11(12)10-3-1-2-9(8)10/h8-12,18H,1-7H2,(H,19,20).
What are the key properties of N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 290.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-tricyclo[5.2.1.02,6]decanyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).