6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C19H23F2NO — CID 162525402

IUPAC6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CCC(F)F)C2
InChIInChI=1S/C19H23F2NO/c20-16(21)7-6-14-12-8-18(13-4-2-1-3-5-13)10-15(14)19(9-12,11-18)17(22)23/h1-5,12,14-16H,6-11H2,(H2,22,23)
InChIKeyCHODWCGGUVPGJT-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.89
Rot. Bonds5

About 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 162525402) has the molecular formula C19H23F2NO and a molecular weight of 319.39 g/mol. Its IUPAC name is 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID162525402
Molecular FormulaC19H23F2NO
Molecular Weight319.39 g/mol
Exact Mass319.17
IUPAC Name6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CCC(F)F)C2
InChIInChI=1S/C19H23F2NO/c20-16(21)7-6-14-12-8-18(13-4-2-1-3-5-13)10-15(14)19(9-12,11-18)17(22)23/h1-5,12,14-16H,6-11H2,(H2,22,23)
InChIKeyCHODWCGGUVPGJT-UHFFFAOYSA-N
XLogP3.89
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 162525402) is 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC1C3CCC(F)F)C2.
What is the InChIKey of 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is CHODWCGGUVPGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2NO/c20-16(21)7-6-14-12-8-18(13-4-2-1-3-5-13)10-15(14)19(9-12,11-18)17(22)23/h1-5,12,14-16H,6-11H2,(H2,22,23).
What are the key properties of 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoropropyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 162525402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).