2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H24F3NO — CID 58394466

IUPAC2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H24F3NO/c1-13(2,3)11-6-5-10(7-11)8-12(19)18(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyLKLLBHZMTYJBNK-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.86
Rot. Bonds3

About 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 58394466) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID58394466
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)CC1CCC(C(C)(C)C)C1
InChIInChI=1S/C14H24F3NO/c1-13(2,3)11-6-5-10(7-11)8-12(19)18(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3
InChIKeyLKLLBHZMTYJBNK-UHFFFAOYSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 58394466) is 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)CC1CCC(C(C)(C)C)C1.
What is the InChIKey of 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LKLLBHZMTYJBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-13(2,3)11-6-5-10(7-11)8-12(19)18(4)9-14(15,16)17/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 279.35 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylcyclopentyl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 58394466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).