(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate

Name: (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₇F₂NO₂ — CID 167788318

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate

SMILESO=C(OCC12C3CCC(CC31)C2(F)F)c1cnc2ccccc2c1

InChIInChI=1S/C19H17F2NO2/c20-19(21)13-5-6-14-15(8-13)18(14,19)10-24-17(23)12-7-11-3-1-2-4-16(11)22-9-12/h1-4,7,9,13-15H,5-6,8,10H2

InChIKeyGEIVIIULTIVUCK-UHFFFAOYSA-N

MW329.35 g/mol

LogP4.07

Rot. Bonds3

About (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate

(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate (PubChem CID 167788318) has the molecular formula C₁₉H₁₇F₂NO₂ and a molecular weight of 329.35 g/mol. Its IUPAC name is (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate.

Molecular Properties

Compound Name	(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate
PubChem CID	167788318
Molecular Formula	C₁₉H₁₇F₂NO₂
Molecular Weight	329.35 g/mol
Exact Mass	329.12
IUPAC Name	(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate
SMILES	O=C(OCC12C3CCC(CC31)C2(F)F)c1cnc2ccccc2c1
InChI	InChI=1S/C19H17F2NO2/c20-19(21)13-5-6-14-15(8-13)18(14,19)10-24-17(23)12-7-11-3-1-2-4-16(11)22-9-12/h1-4,7,9,13-15H,5-6,8,10H2
InChIKey	GEIVIIULTIVUCK-UHFFFAOYSA-N
XLogP	4.07
TPSA	39.19 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	3
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.35
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?

The IUPAC name of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate (CID 167788318) is (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate.

What is the SMILES notation for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?

The canonical SMILES for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate is O=C(OCC12C3CCC(CC31)C2(F)F)c1cnc2ccccc2c1.

What is the InChIKey of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?

The InChIKey is GEIVIIULTIVUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO2/c20-19(21)13-5-6-14-15(8-13)18(14,19)10-24-17(23)12-7-11-3-1-2-4-16(11)22-9-12/h1-4,7,9,13-15H,5-6,8,10H2.

What are the key properties of (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate?

(8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate has a molecular weight of 329.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (8,8-difluoro-1-tricyclo[3.2.1.02,7]octanyl)methyl quinoline-3-carboxylate is sourced from PubChem (CID 167788318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 167788318 — identifiers, structure, computed properties (public domain)

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