N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

C14H12F3NO — CID 123866150

IUPACN-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(NC(=O)C1=CC=C2C1=CC1=CC12)C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-13(2,14(15,16)17)18-12(19)9-4-3-8-10-5-7(10)6-11(8)9/h3-6,10H,1-2H3,(H,18,19)
InChIKeyJWMBKHHOJHWYKG-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.81
Rot. Bonds2

About N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide

N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123866150) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
PubChem CID123866150
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
SMILESCC(C)(NC(=O)C1=CC=C2C1=CC1=CC12)C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-13(2,14(15,16)17)18-12(19)9-4-3-8-10-5-7(10)6-11(8)9/h3-6,10H,1-2H3,(H,18,19)
InChIKeyJWMBKHHOJHWYKG-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The IUPAC name of N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123866150) is N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.
What is the SMILES notation for N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The canonical SMILES for N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(C)(NC(=O)C1=CC=C2C1=CC1=CC12)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
The InChIKey is JWMBKHHOJHWYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-13(2,14(15,16)17)18-12(19)9-4-3-8-10-5-7(10)6-11(8)9/h3-6,10H,1-2H3,(H,18,19).
What are the key properties of N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?
N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123866150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).