6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

C16H17F2NO — CID 162526169

IUPAC6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3(F)F)C2
InChIInChI=1S/C16H17F2NO/c17-16(18)11-6-14(10-4-2-1-3-5-10)8-12(16)15(7-11,9-14)13(19)20/h1-5,11-12H,6-9H2,(H2,19,20)
InChIKeyHBYTTXVCKFJVGK-UHFFFAOYSA-N
MW277.31 g/mol
LogP2.87
Rot. Bonds2

About 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide

6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 162526169) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID162526169
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3(F)F)C2
InChIInChI=1S/C16H17F2NO/c17-16(18)11-6-14(10-4-2-1-3-5-10)8-12(16)15(7-11,9-14)13(19)20/h1-5,11-12H,6-9H2,(H2,19,20)
InChIKeyHBYTTXVCKFJVGK-UHFFFAOYSA-N
XLogP2.87
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 162526169) is 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC1C3(F)F)C2.
What is the InChIKey of 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is HBYTTXVCKFJVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO/c17-16(18)11-6-14(10-4-2-1-3-5-10)8-12(16)15(7-11,9-14)13(19)20/h1-5,11-12H,6-9H2,(H2,19,20).
What are the key properties of 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 277.31 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 162526169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).