2-(difluoromethyl)quinoline

C10H7F2N — CID 19735819

IUPAC2-(difluoromethyl)quinoline
SMILESFC(F)c1ccc2ccccc2n1
InChIInChI=1S/C10H7F2N/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,10H
InChIKeyZPSLQVUFNFDCGA-UHFFFAOYSA-N
MW179.17 g/mol
LogP3.17
Rot. Bonds1

About 2-(difluoromethyl)quinoline

2-(difluoromethyl)quinoline (PubChem CID 19735819) has the molecular formula C10H7F2N and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(difluoromethyl)quinoline.

Molecular Properties

Compound Name2-(difluoromethyl)quinoline
PubChem CID19735819
Molecular FormulaC10H7F2N
Molecular Weight179.17 g/mol
Exact Mass179.05
IUPAC Name2-(difluoromethyl)quinoline
SMILESFC(F)c1ccc2ccccc2n1
InChIInChI=1S/C10H7F2N/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,10H
InChIKeyZPSLQVUFNFDCGA-UHFFFAOYSA-N
XLogP3.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)quinoline?
The IUPAC name of 2-(difluoromethyl)quinoline (CID 19735819) is 2-(difluoromethyl)quinoline.
What is the SMILES notation for 2-(difluoromethyl)quinoline?
The canonical SMILES for 2-(difluoromethyl)quinoline is FC(F)c1ccc2ccccc2n1.
What is the InChIKey of 2-(difluoromethyl)quinoline?
The InChIKey is ZPSLQVUFNFDCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N/c11-10(12)9-6-5-7-3-1-2-4-8(7)13-9/h1-6,10H.
What are the key properties of 2-(difluoromethyl)quinoline?
2-(difluoromethyl)quinoline has a molecular weight of 179.17 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)quinoline is sourced from PubChem (CID 19735819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).