2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

C14H23F3N2O — CID 78997075

IUPAC2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)CNCC(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-12(2)9-4-5-13(3,6-9)11(12)19-10(20)7-18-8-14(15,16)17/h9,11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyQOHJEIYSQBGXTP-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.47
Rot. Bonds4

About 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide

2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (PubChem CID 78997075) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
PubChem CID78997075
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)CNCC(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-12(2)9-4-5-13(3,6-9)11(12)19-10(20)7-18-8-14(15,16)17/h9,11,18H,4-8H2,1-3H3,(H,19,20)
InChIKeyQOHJEIYSQBGXTP-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The IUPAC name of 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide (CID 78997075) is 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide.
What is the SMILES notation for 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The canonical SMILES for 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is CC12CCC(C1)C(C)(C)C2NC(=O)CNCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
The InChIKey is QOHJEIYSQBGXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-12(2)9-4-5-13(3,6-9)11(12)19-10(20)7-18-8-14(15,16)17/h9,11,18H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide?
2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide has a molecular weight of 292.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide is sourced from PubChem (CID 78997075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).