2,3-difluoro-2-methyl-1H-quinoline

C10H9F2N — CID 139301743

IUPAC2,3-difluoro-2-methyl-1H-quinoline
SMILESCC1(F)Nc2ccccc2C=C1F
InChIInChI=1S/C10H9F2N/c1-10(12)9(11)6-7-4-2-3-5-8(7)13-10/h2-6,13H,1H3
InChIKeyYSAPDGNHKJDBBO-UHFFFAOYSA-N
MW181.19 g/mol
LogP3.11
Rot. Bonds

About 2,3-difluoro-2-methyl-1H-quinoline

2,3-difluoro-2-methyl-1H-quinoline (PubChem CID 139301743) has the molecular formula C10H9F2N and a molecular weight of 181.19 g/mol. Its IUPAC name is 2,3-difluoro-2-methyl-1H-quinoline.

Molecular Properties

Compound Name2,3-difluoro-2-methyl-1H-quinoline
PubChem CID139301743
Molecular FormulaC10H9F2N
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2,3-difluoro-2-methyl-1H-quinoline
SMILESCC1(F)Nc2ccccc2C=C1F
InChIInChI=1S/C10H9F2N/c1-10(12)9(11)6-7-4-2-3-5-8(7)13-10/h2-6,13H,1H3
InChIKeyYSAPDGNHKJDBBO-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2-methyl-1H-quinoline?
The IUPAC name of 2,3-difluoro-2-methyl-1H-quinoline (CID 139301743) is 2,3-difluoro-2-methyl-1H-quinoline.
What is the SMILES notation for 2,3-difluoro-2-methyl-1H-quinoline?
The canonical SMILES for 2,3-difluoro-2-methyl-1H-quinoline is CC1(F)Nc2ccccc2C=C1F.
What is the InChIKey of 2,3-difluoro-2-methyl-1H-quinoline?
The InChIKey is YSAPDGNHKJDBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c1-10(12)9(11)6-7-4-2-3-5-8(7)13-10/h2-6,13H,1H3.
What are the key properties of 2,3-difluoro-2-methyl-1H-quinoline?
2,3-difluoro-2-methyl-1H-quinoline has a molecular weight of 181.19 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2-methyl-1H-quinoline is sourced from PubChem (CID 139301743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).