1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C19H22F3NO — CID 166909068

IUPAC1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CCC(F)(F)F)C2
InChIInChI=1S/C19H22F3NO/c20-19(21,22)7-6-14-12-8-17(13-4-2-1-3-5-13)10-15(14)18(9-12,11-17)16(23)24/h1-5,12,14-15H,6-11H2,(H2,23,24)
InChIKeyTVRGDTZNYRIOOJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.19
Rot. Bonds4

About 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166909068) has the molecular formula C19H22F3NO and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166909068
Molecular FormulaC19H22F3NO
Molecular Weight337.38 g/mol
Exact Mass337.17
IUPAC Name1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CCC(F)(F)F)C2
InChIInChI=1S/C19H22F3NO/c20-19(21,22)7-6-14-12-8-17(13-4-2-1-3-5-13)10-15(14)18(9-12,11-17)16(23)24/h1-5,12,14-15H,6-11H2,(H2,23,24)
InChIKeyTVRGDTZNYRIOOJ-UHFFFAOYSA-N
XLogP4.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166909068) is 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC1C3CCC(F)(F)F)C2.
What is the InChIKey of 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is TVRGDTZNYRIOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NO/c20-19(21,22)7-6-14-12-8-17(13-4-2-1-3-5-13)10-15(14)18(9-12,11-17)16(23)24/h1-5,12,14-15H,6-11H2,(H2,23,24).
What are the key properties of 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-(3,3,3-trifluoropropyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166909068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).