6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C19H23F2NO — CID 166908598

IUPAC6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCC1(CC(F)F)C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3
InChIInChI=1S/C19H23F2NO/c1-17(10-15(20)21)13-7-18(12-5-3-2-4-6-12)9-14(17)19(8-13,11-18)16(22)23/h2-6,13-15H,7-11H2,1H3,(H2,22,23)
InChIKeyWSTMYECVJVOTTH-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.89
Rot. Bonds4

About 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166908598) has the molecular formula C19H23F2NO and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166908598
Molecular FormulaC19H23F2NO
Molecular Weight319.39 g/mol
Exact Mass319.17
IUPAC Name6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESCC1(CC(F)F)C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3
InChIInChI=1S/C19H23F2NO/c1-17(10-15(20)21)13-7-18(12-5-3-2-4-6-12)9-14(17)19(8-13,11-18)16(22)23/h2-6,13-15H,7-11H2,1H3,(H2,22,23)
InChIKeyWSTMYECVJVOTTH-UHFFFAOYSA-N
XLogP3.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166908598) is 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is CC1(CC(F)F)C2CC3(c4ccccc4)CC1C(C(N)=O)(C2)C3.
What is the InChIKey of 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is WSTMYECVJVOTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c1-17(10-15(20)21)13-7-18(12-5-3-2-4-6-12)9-14(17)19(8-13,11-18)16(22)23/h2-6,13-15H,7-11H2,1H3,(H2,22,23).
What are the key properties of 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-6-methyl-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166908598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).