2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline

C22H19F2N — CID 14898040

IUPAC2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline
SMILESFC(F)C1CC(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C22H19F2N/c23-22(24)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)25(21)17-11-5-2-6-12-17/h1-14,19,21-22H,15H2
InChIKeyJTNDUWLRCXBDBA-UHFFFAOYSA-N
MW335.40 g/mol
LogP5.99
Rot. Bonds3

About 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline

2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline (PubChem CID 14898040) has the molecular formula C22H19F2N and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline
PubChem CID14898040
Molecular FormulaC22H19F2N
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline
SMILESFC(F)C1CC(c2ccccc2)c2ccccc2N1c1ccccc1
InChIInChI=1S/C22H19F2N/c23-22(24)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)25(21)17-11-5-2-6-12-17/h1-14,19,21-22H,15H2
InChIKeyJTNDUWLRCXBDBA-UHFFFAOYSA-N
XLogP5.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.40
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline (CID 14898040) is 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline is FC(F)C1CC(c2ccccc2)c2ccccc2N1c1ccccc1.
What is the InChIKey of 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline?
The InChIKey is JTNDUWLRCXBDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N/c23-22(24)21-15-19(16-9-3-1-4-10-16)18-13-7-8-14-20(18)25(21)17-11-5-2-6-12-17/h1-14,19,21-22H,15H2.
What are the key properties of 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline?
2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline has a molecular weight of 335.40 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,4-diphenyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 14898040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).