1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C18H20F3NO — CID 166908991

IUPAC1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CC(F)(F)F)C2
InChIInChI=1S/C18H20F3NO/c19-18(20,21)8-13-11-6-16(12-4-2-1-3-5-12)9-14(13)17(7-11,10-16)15(22)23/h1-5,11,13-14H,6-10H2,(H2,22,23)
InChIKeyUNPZDMJWTSWCET-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.80
Rot. Bonds3

About 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166908991) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166908991
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC(c4ccccc4)(CC1C3CC(F)(F)F)C2
InChIInChI=1S/C18H20F3NO/c19-18(20,21)8-13-11-6-16(12-4-2-1-3-5-12)9-14(13)17(7-11,10-16)15(22)23/h1-5,11,13-14H,6-10H2,(H2,22,23)
InChIKeyUNPZDMJWTSWCET-UHFFFAOYSA-N
XLogP3.80
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166908991) is 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC(c4ccccc4)(CC1C3CC(F)(F)F)C2.
What is the InChIKey of 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is UNPZDMJWTSWCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO/c19-18(20,21)8-13-11-6-16(12-4-2-1-3-5-12)9-14(13)17(7-11,10-16)15(22)23/h1-5,11,13-14H,6-10H2,(H2,22,23).
What are the key properties of 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-(2,2,2-trifluoroethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166908991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).