2-(difluoromethyl)-3-methylquinoline

C11H9F2N — CID 154021471

IUPAC2-(difluoromethyl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1C(F)F
InChIInChI=1S/C11H9F2N/c1-7-6-8-4-2-3-5-9(8)14-10(7)11(12)13/h2-6,11H,1H3
InChIKeyIALOJZXEFYNETL-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.48
Rot. Bonds1

About 2-(difluoromethyl)-3-methylquinoline

2-(difluoromethyl)-3-methylquinoline (PubChem CID 154021471) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methylquinoline.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methylquinoline
PubChem CID154021471
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(difluoromethyl)-3-methylquinoline
SMILESCc1cc2ccccc2nc1C(F)F
InChIInChI=1S/C11H9F2N/c1-7-6-8-4-2-3-5-9(8)14-10(7)11(12)13/h2-6,11H,1H3
InChIKeyIALOJZXEFYNETL-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylquinolin-2-yl)pentan-3-ol
CID 63562501
3-(3-methylquinolin-2-yl)pentan-2-amine
CID 63229404
4-methyl-3-(3-methylquinolin-2-yl)pentan-2-one
CID 55175549
N-methyl-3-(3-methylquinolin-2-yl)pentan-2-amine
CID 63229405
3-methylquinoline-2-carbaldehyde
CID 22832126
iridium;3-methyl-2-phenylquinoline
CID 174474394
3-methyl-2-[3-(3-methylquinolin-2-yl)phenyl]quinoline
CID 134841848
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
cadmium(2+);bis(3-methylquinoline-2-thiolate)
CID 162181468
2-(difluoromethyl)-3-methyl-4-phenylquinoline
CID 164676810
potassium;hydride;2-methylquinoline;tritetrafluoroborate
CID 175190029
acridine;ethane
CID 123684759

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-methylquinoline?
The IUPAC name of 2-(difluoromethyl)-3-methylquinoline (CID 154021471) is 2-(difluoromethyl)-3-methylquinoline.
What is the SMILES notation for 2-(difluoromethyl)-3-methylquinoline?
The canonical SMILES for 2-(difluoromethyl)-3-methylquinoline is Cc1cc2ccccc2nc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methylquinoline?
The InChIKey is IALOJZXEFYNETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c1-7-6-8-4-2-3-5-9(8)14-10(7)11(12)13/h2-6,11H,1H3.
What are the key properties of 2-(difluoromethyl)-3-methylquinoline?
2-(difluoromethyl)-3-methylquinoline has a molecular weight of 193.20 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-methylquinoline is sourced from PubChem (CID 154021471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).