TWC

C₆H₇F₃N₂O — CID 15144915

About TWC

TWC (PubChem CID 15144915) has the molecular formula C₆H₇F₃N₂O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-one.

Molecular Properties

• Compound Name: TWC
• PubChem CID: 15144915
• Molecular Formula: C₆H₇F₃N₂O
• Molecular Weight: 180.13 g/mol
• Exact Mass: 180.05
• IUPAC Name: 2-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-one
• SMILES: CCn1[nH]c(C(F)(F)F)cc1=O
• InChI: InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h3,10H,2H2,1H3
• InChIKey: NEHSOUWJXVTUNS-UHFFFAOYSA-N
• XLogP: 1.22
• TPSA: 37.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	180.13
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of TWC?

The IUPAC name of TWC (CID 15144915) is 2-ethyl-5-(trifluoromethyl)-1H-pyrazol-3-one.

What is the SMILES notation for TWC?

The canonical SMILES for TWC is CCn1[nH]c(C(F)(F)F)cc1=O.

What is the InChIKey of TWC?

The InChIKey is NEHSOUWJXVTUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-2-11-5(12)3-4(10-11)6(7,8)9/h3,10H,2H2,1H3.

What are the key properties of TWC?

TWC has a molecular weight of 180.13 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for TWC is sourced from PubChem (CID 15144915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 15144915 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.