IOBGZBYWYURLKD-UHFFFAOYSA-N

C₇H₈F₃N — CID 118686062

About IOBGZBYWYURLKD-UHFFFAOYSA-N

IOBGZBYWYURLKD-UHFFFAOYSA-N (PubChem CID 118686062) has the molecular formula C₇H₈F₃N and a molecular weight of 163.14 g/mol. Its IUPAC name is 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridine.

Molecular Properties

• Compound Name: IOBGZBYWYURLKD-UHFFFAOYSA-N
• PubChem CID: 118686062
• Molecular Formula: C₇H₈F₃N
• Molecular Weight: 163.14 g/mol
• Exact Mass: 163.06
• IUPAC Name: 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridine
• SMILES: CC1=CC=C(C(F)(F)F)CN1
• InChI: InChI=1S/C7H8F3N/c1-5-2-3-6(4-11-5)7(8,9)10/h2-3,11H,4H2,1H3
• InChIKey: IOBGZBYWYURLKD-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	163.14
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of IOBGZBYWYURLKD-UHFFFAOYSA-N (CID 118686062) is 6-methyl-3-(trifluoromethyl)-1,2-dihydropyridine.

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

The canonical SMILES for IOBGZBYWYURLKD-UHFFFAOYSA-N is CC1=CC=C(C(F)(F)F)CN1.

What is the InChIKey of IOBGZBYWYURLKD-UHFFFAOYSA-N?

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

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

IOBGZBYWYURLKD-UHFFFAOYSA-N has a molecular weight of 163.14 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for IOBGZBYWYURLKD-UHFFFAOYSA-N is sourced from PubChem (CID 118686062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118686062 — identifiers, structure, computed properties (public domain)

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