2,4-bis(difluoromethyl)quinoline

C11H7F4N — CID 68583804

IUPAC2,4-bis(difluoromethyl)quinoline
SMILESFC(F)c1cc(C(F)F)c2ccccc2n1
InChIInChI=1S/C11H7F4N/c12-10(13)7-5-9(11(14)15)16-8-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyLJECGMKCSXJXGA-UHFFFAOYSA-N
MW229.18 g/mol
LogP4.11
Rot. Bonds2

About 2,4-bis(difluoromethyl)quinoline

2,4-bis(difluoromethyl)quinoline (PubChem CID 68583804) has the molecular formula C11H7F4N and a molecular weight of 229.18 g/mol. Its IUPAC name is 2,4-bis(difluoromethyl)quinoline.

Molecular Properties

Compound Name2,4-bis(difluoromethyl)quinoline
PubChem CID68583804
Molecular FormulaC11H7F4N
Molecular Weight229.18 g/mol
Exact Mass229.05
IUPAC Name2,4-bis(difluoromethyl)quinoline
SMILESFC(F)c1cc(C(F)F)c2ccccc2n1
InChIInChI=1S/C11H7F4N/c12-10(13)7-5-9(11(14)15)16-8-4-2-1-3-6(7)8/h1-5,10-11H
InChIKeyLJECGMKCSXJXGA-UHFFFAOYSA-N
XLogP4.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(difluoromethyl)quinoline?
The IUPAC name of 2,4-bis(difluoromethyl)quinoline (CID 68583804) is 2,4-bis(difluoromethyl)quinoline.
What is the SMILES notation for 2,4-bis(difluoromethyl)quinoline?
The canonical SMILES for 2,4-bis(difluoromethyl)quinoline is FC(F)c1cc(C(F)F)c2ccccc2n1.
What is the InChIKey of 2,4-bis(difluoromethyl)quinoline?
The InChIKey is LJECGMKCSXJXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N/c12-10(13)7-5-9(11(14)15)16-8-4-2-1-3-6(7)8/h1-5,10-11H.
What are the key properties of 2,4-bis(difluoromethyl)quinoline?
2,4-bis(difluoromethyl)quinoline has a molecular weight of 229.18 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethyl)quinoline is sourced from PubChem (CID 68583804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).