(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

C₁₅H₁₆F₂O₂ — CID 114215473

About (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone

(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (PubChem CID 114215473) has the molecular formula C₁₅H₁₆F₂O₂ and a molecular weight of 266.29 g/mol. Its IUPAC name is (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

Molecular Properties

• Compound Name: (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
• PubChem CID: 114215473
• Molecular Formula: C₁₅H₁₆F₂O₂
• Molecular Weight: 266.29 g/mol
• Exact Mass: 266.11
• IUPAC Name: (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone
• SMILES: O=C(c1cccc2c1OCC2)C1CCCC(F)(F)C1
• InChI: InChI=1S/C15H16F2O2/c16-15(17)7-2-4-11(9-15)13(18)12-5-1-3-10-6-8-19-14(10)12/h1,3,5,11H,2,4,6-9H2
• InChIKey: QFNMQNKRUAEQOY-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 26.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.29
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?

The IUPAC name of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone (CID 114215473) is (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone.

What is the SMILES notation for (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?

The canonical SMILES for (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is O=C(c1cccc2c1OCC2)C1CCCC(F)(F)C1.

What is the InChIKey of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?

The InChIKey is QFNMQNKRUAEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O2/c16-15(17)7-2-4-11(9-15)13(18)12-5-1-3-10-6-8-19-14(10)12/h1,3,5,11H,2,4,6-9H2.

What are the key properties of (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone?

(3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone has a molecular weight of 266.29 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3,3-difluorocyclohexyl)-(2,3-dihydro-1-benzofuran-7-yl)methanone is sourced from PubChem (CID 114215473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114215473 — identifiers, structure, computed properties (public domain)

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