Quinoline, 2,4-bis(difluoromethyl)-

C11H7F4N — CID 68583804

IUPAC2,4-bis(difluoromethyl)quinoline
SMILESC1=CC=C2C(=C1)C(=CC(=N2)C(F)F)C(F)F
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
MW229.17 g/mol
LogP3.50
Rot. Bonds2

About Quinoline, 2,4-bis(difluoromethyl)-

Quinoline, 2,4-bis(difluoromethyl)- (PubChem CID 68583804) has the molecular formula C11H7F4N and a molecular weight of 229.17 g/mol. Its IUPAC name is 2,4-bis(difluoromethyl)quinoline.

Molecular Properties

Compound NameQuinoline, 2,4-bis(difluoromethyl)-
PubChem CID68583804
Molecular FormulaC11H7F4N
Molecular Weight229.17 g/mol
Exact Mass229.05
IUPAC Name2,4-bis(difluoromethyl)quinoline
SMILESC1=CC=C2C(=C1)C(=CC(=N2)C(F)F)C(F)F
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
XLogP3.50
TPSA12.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity234

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.17
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Quinoline, 2,4-bis(difluoromethyl)-?
The IUPAC name of Quinoline, 2,4-bis(difluoromethyl)- (CID 68583804) is 2,4-bis(difluoromethyl)quinoline.
What is the SMILES notation for Quinoline, 2,4-bis(difluoromethyl)-?
The canonical SMILES for Quinoline, 2,4-bis(difluoromethyl)- is C1=CC=C2C(=C1)C(=CC(=N2)C(F)F)C(F)F.
What is the InChIKey of Quinoline, 2,4-bis(difluoromethyl)-?
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 Quinoline, 2,4-bis(difluoromethyl)-?
Quinoline, 2,4-bis(difluoromethyl)- has a molecular weight of 229.17 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Quinoline, 2,4-bis(difluoromethyl)- is sourced from PubChem (CID 68583804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).