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

C17H19F2NO — CID 166908582

IUPAC6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3C(F)F)C2
InChIInChI=1S/C17H19F2NO/c18-14(19)13-10-6-16(11-4-2-1-3-5-11)8-12(13)17(7-10,9-16)15(20)21/h1-5,10,12-14H,6-9H2,(H2,20,21)
InChIKeyZFLIVDSOJKHRBP-UHFFFAOYSA-N
MW291.34 g/mol
LogP3.11
Rot. Bonds3

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

6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166908582) has the molecular formula C17H19F2NO and a molecular weight of 291.34 g/mol. Its IUPAC name is 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166908582
Molecular FormulaC17H19F2NO
Molecular Weight291.34 g/mol
Exact Mass291.14
IUPAC Name6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3C(F)F)C2
InChIInChI=1S/C17H19F2NO/c18-14(19)13-10-6-16(11-4-2-1-3-5-11)8-12(13)17(7-10,9-16)15(20)21/h1-5,10,12-14H,6-9H2,(H2,20,21)
InChIKeyZFLIVDSOJKHRBP-UHFFFAOYSA-N
XLogP3.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166908582) is 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC1C3C(F)F)C2.
What is the InChIKey of 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is ZFLIVDSOJKHRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO/c18-14(19)13-10-6-16(11-4-2-1-3-5-11)8-12(13)17(7-10,9-16)15(20)21/h1-5,10,12-14H,6-9H2,(H2,20,21).
What are the key properties of 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 291.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166908582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).