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

C14H14FNO — CID 123580742

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

N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (PubChem CID 123580742) has the molecular formula C14H14FNO and a molecular weight of 231.27 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide.

Molecular Properties

• Compound Name: N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
• PubChem CID: 123580742
• Molecular Formula: C14H14FNO
• Molecular Weight: 231.27 g/mol
• Exact Mass: 231.11
• IUPAC Name: N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
• SMILES: CC(C)(CF)NC(=O)C1=CC=C2C1=CC1=CC12
• InChI: InChI=1S/C14H14FNO/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-6,11H,7H2,1-2H3,(H,16,17)
• InChIKey: JSIGGRDCKNTJEA-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	231.27
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-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-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide (CID 123580742) is N-(1-fluoro-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-fluoro-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-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is CC(C)(CF)NC(=O)C1=CC=C2C1=CC1=CC12.

What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?

The InChIKey is JSIGGRDCKNTJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO/c1-14(2,7-15)16-13(17)10-4-3-9-11-5-8(11)6-12(9)10/h3-6,11H,7H2,1-2H3,(H,16,17).

What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide?

N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide has a molecular weight of 231.27 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-fluoro-2-methylpropan-2-yl)tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide is sourced from PubChem (CID 123580742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).