ULCODHKQRYPMNS-UHFFFAOYSA-N

C₇H₆F₆O — CID 154360243

About ULCODHKQRYPMNS-UHFFFAOYSA-N

ULCODHKQRYPMNS-UHFFFAOYSA-N (PubChem CID 154360243) has the molecular formula C₇H₆F₆O and a molecular weight of 220.11 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(trifluoromethyl)-4,5-dihydrooxepine.

Molecular Properties

• Compound Name: ULCODHKQRYPMNS-UHFFFAOYSA-N
• PubChem CID: 154360243
• Molecular Formula: C₇H₆F₆O
• Molecular Weight: 220.11 g/mol
• Exact Mass: 220.03
• IUPAC Name: 2,2,3-trifluoro-3-(trifluoromethyl)-4,5-dihydrooxepine
• SMILES: FC(F)(F)C1(F)CCC=COC1(F)F
• InChI: InChI=1S/C7H6F6O/c8-5(6(9,10)11)3-1-2-4-14-7(5,12)13/h2,4H,1,3H2
• InChIKey: ULCODHKQRYPMNS-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	220.11
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

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

The IUPAC name of ULCODHKQRYPMNS-UHFFFAOYSA-N (CID 154360243) is 2,2,3-trifluoro-3-(trifluoromethyl)-4,5-dihydrooxepine.

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

The canonical SMILES for ULCODHKQRYPMNS-UHFFFAOYSA-N is FC(F)(F)C1(F)CCC=COC1(F)F.

What is the InChIKey of ULCODHKQRYPMNS-UHFFFAOYSA-N?

The InChIKey is ULCODHKQRYPMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6O/c8-5(6(9,10)11)3-1-2-4-14-7(5,12)13/h2,4H,1,3H2.

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

ULCODHKQRYPMNS-UHFFFAOYSA-N has a molecular weight of 220.11 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ULCODHKQRYPMNS-UHFFFAOYSA-N is sourced from PubChem (CID 154360243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154360243 — identifiers, structure, computed properties (public domain)

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