6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline

C19H26FN — CID 126544155

IUPAC6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
SMILESCC(C)(C)C(C)(c1ccc2cc(F)ccc2n1)C(C)(C)C
InChIInChI=1S/C19H26FN/c1-17(2,3)19(7,18(4,5)6)16-11-8-13-12-14(20)9-10-15(13)21-16/h8-12H,1-7H3
InChIKeyKYJCMRKKOKCZSL-UHFFFAOYSA-N
MW287.42 g/mol
LogP5.72
Rot. Bonds1

About 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline

6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline (PubChem CID 126544155) has the molecular formula C19H26FN and a molecular weight of 287.42 g/mol. Its IUPAC name is 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline.

Molecular Properties

Compound Name6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
PubChem CID126544155
Molecular FormulaC19H26FN
Molecular Weight287.42 g/mol
Exact Mass287.20
IUPAC Name6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline
SMILESCC(C)(C)C(C)(c1ccc2cc(F)ccc2n1)C(C)(C)C
InChIInChI=1S/C19H26FN/c1-17(2,3)19(7,18(4,5)6)16-11-8-13-12-14(20)9-10-15(13)21-16/h8-12H,1-7H3
InChIKeyKYJCMRKKOKCZSL-UHFFFAOYSA-N
XLogP5.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.42
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
The IUPAC name of 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline (CID 126544155) is 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline.
What is the SMILES notation for 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
The canonical SMILES for 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline is CC(C)(C)C(C)(c1ccc2cc(F)ccc2n1)C(C)(C)C.
What is the InChIKey of 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
The InChIKey is KYJCMRKKOKCZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN/c1-17(2,3)19(7,18(4,5)6)16-11-8-13-12-14(20)9-10-15(13)21-16/h8-12H,1-7H3.
What are the key properties of 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline?
6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline has a molecular weight of 287.42 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(2,2,3,4,4-pentamethylpentan-3-yl)quinoline is sourced from PubChem (CID 126544155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).