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

C18H22FNO — CID 166908990

IUPAC6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CCF)C2
InChIInChI=1S/C18H22FNO/c19-7-6-14-12-8-17(13-4-2-1-3-5-13)10-15(14)18(9-12,11-17)16(20)21/h1-5,12,14-15H,6-11H2,(H2,20,21)
InChIKeyTWCLUUHLIJYADQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.21
Rot. Bonds4

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

6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166908990) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166908990
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CCF)C2
InChIInChI=1S/C18H22FNO/c19-7-6-14-12-8-17(13-4-2-1-3-5-13)10-15(14)18(9-12,11-17)16(20)21/h1-5,12,14-15H,6-11H2,(H2,20,21)
InChIKeyTWCLUUHLIJYADQ-UHFFFAOYSA-N
XLogP3.21
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166908990) is 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC1C3CCF)C2.
What is the InChIKey of 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is TWCLUUHLIJYADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c19-7-6-14-12-8-17(13-4-2-1-3-5-13)10-15(14)18(9-12,11-17)16(20)21/h1-5,12,14-15H,6-11H2,(H2,20,21).
What are the key properties of 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide?
6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-1-phenyltricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166908990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).