FTSICARUKBBCIG-UHFFFAOYSA-N

C₇H₈F₃N — CID 121391423

About FTSICARUKBBCIG-UHFFFAOYSA-N

FTSICARUKBBCIG-UHFFFAOYSA-N (PubChem CID 121391423) has the molecular formula C₇H₈F₃N and a molecular weight of 163.14 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-2H-pyridine.

Molecular Properties

• Compound Name: FTSICARUKBBCIG-UHFFFAOYSA-N
• PubChem CID: 121391423
• Molecular Formula: C₇H₈F₃N
• Molecular Weight: 163.14 g/mol
• Exact Mass: 163.06
• IUPAC Name: 1-methyl-4-(trifluoromethyl)-2H-pyridine
• SMILES: CN1C=CC(C(F)(F)F)=CC1
• InChI: InChI=1S/C7H8F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2-4H,5H2,1H3
• InChIKey: FTSICARUKBBCIG-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	163.14
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of FTSICARUKBBCIG-UHFFFAOYSA-N?

The IUPAC name of FTSICARUKBBCIG-UHFFFAOYSA-N (CID 121391423) is 1-methyl-4-(trifluoromethyl)-2H-pyridine.

What is the SMILES notation for FTSICARUKBBCIG-UHFFFAOYSA-N?

The canonical SMILES for FTSICARUKBBCIG-UHFFFAOYSA-N is CN1C=CC(C(F)(F)F)=CC1.

What is the InChIKey of FTSICARUKBBCIG-UHFFFAOYSA-N?

The InChIKey is FTSICARUKBBCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N/c1-11-4-2-6(3-5-11)7(8,9)10/h2-4H,5H2,1H3.

What are the key properties of FTSICARUKBBCIG-UHFFFAOYSA-N?

FTSICARUKBBCIG-UHFFFAOYSA-N has a molecular weight of 163.14 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for FTSICARUKBBCIG-UHFFFAOYSA-N is sourced from PubChem (CID 121391423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121391423 — identifiers, structure, computed properties (public domain)

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