N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane

C₉H₉ClF₃NO — CID 143654894

About N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane

N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane (PubChem CID 143654894) has the molecular formula C₉H₉ClF₃NO and a molecular weight of 239.62 g/mol. Its IUPAC name is N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane.

Molecular Properties

• Compound Name: N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane
• PubChem CID: 143654894
• Molecular Formula: C₉H₉ClF₃NO
• Molecular Weight: 239.62 g/mol
• Exact Mass: 239.03
• IUPAC Name: N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane
• SMILES: C.O=CNc1c(Cl)cccc1C(F)(F)F
• InChI: InChI=1S/C8H5ClF3NO.CH4/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14;/h1-4H,(H,13,14);1H4
• InChIKey: VYHCLBJYBOBSFQ-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 29.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	239.62
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane?

The IUPAC name of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane (CID 143654894) is N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane.

What is the SMILES notation for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane?

The canonical SMILES for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane is C.O=CNc1c(Cl)cccc1C(F)(F)F.

What is the InChIKey of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane?

The InChIKey is VYHCLBJYBOBSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO.CH4/c9-6-3-1-2-5(8(10,11)12)7(6)13-4-14;/h1-4H,(H,13,14);1H4.

What are the key properties of N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane?

N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane has a molecular weight of 239.62 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-6-(trifluoromethyl)phenyl]formamide;methane is sourced from PubChem (CID 143654894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143654894 — identifiers, structure, computed properties (public domain)

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