3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide

C16H26F3NO — CID 146393507

IUPAC3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCC(C)C12CCC(NC(=O)C(C)(C)C(F)(F)F)(CC1)CC2
InChIInChI=1S/C16H26F3NO/c1-11(2)14-5-8-15(9-6-14,10-7-14)20-12(21)13(3,4)16(17,18)19/h11H,5-10H2,1-4H3,(H,20,21)
InChIKeySTHHYWGBSICALW-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.44
Rot. Bonds3

About 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide

3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide (PubChem CID 146393507) has the molecular formula C16H26F3NO and a molecular weight of 305.38 g/mol. Its IUPAC name is 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
PubChem CID146393507
Molecular FormulaC16H26F3NO
Molecular Weight305.38 g/mol
Exact Mass305.20
IUPAC Name3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide
SMILESCC(C)C12CCC(NC(=O)C(C)(C)C(F)(F)F)(CC1)CC2
InChIInChI=1S/C16H26F3NO/c1-11(2)14-5-8-15(9-6-14,10-7-14)20-12(21)13(3,4)16(17,18)19/h11H,5-10H2,1-4H3,(H,20,21)
InChIKeySTHHYWGBSICALW-UHFFFAOYSA-N
XLogP4.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide (CID 146393507) is 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide is CC(C)C12CCC(NC(=O)C(C)(C)C(F)(F)F)(CC1)CC2.
What is the InChIKey of 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
The InChIKey is STHHYWGBSICALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3NO/c1-11(2)14-5-8-15(9-6-14,10-7-14)20-12(21)13(3,4)16(17,18)19/h11H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide?
3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2,2-dimethyl-N-(4-propan-2-yl-1-bicyclo[2.2.2]octanyl)propanamide is sourced from PubChem (CID 146393507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).