4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline

C11H7ClF3N — CID 62891436

IUPAC4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
SMILESCc1ccc(F)c2c(Cl)cc(C(F)F)nc12
InChIInChI=1S/C11H7ClF3N/c1-5-2-3-7(13)9-6(12)4-8(11(14)15)16-10(5)9/h2-4,11H,1H3
InChIKeyJOPUWOUQCAEXLX-UHFFFAOYSA-N
MW245.63 g/mol
LogP4.27
Rot. Bonds1

About 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline

4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline (PubChem CID 62891436) has the molecular formula C11H7ClF3N and a molecular weight of 245.63 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
PubChem CID62891436
Molecular FormulaC11H7ClF3N
Molecular Weight245.63 g/mol
Exact Mass245.02
IUPAC Name4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline
SMILESCc1ccc(F)c2c(Cl)cc(C(F)F)nc12
InChIInChI=1S/C11H7ClF3N/c1-5-2-3-7(13)9-6(12)4-8(11(14)15)16-10(5)9/h2-4,11H,1H3
InChIKeyJOPUWOUQCAEXLX-UHFFFAOYSA-N
XLogP4.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline?
The IUPAC name of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline (CID 62891436) is 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline.
What is the SMILES notation for 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline?
The canonical SMILES for 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline is Cc1ccc(F)c2c(Cl)cc(C(F)F)nc12.
What is the InChIKey of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline?
The InChIKey is JOPUWOUQCAEXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N/c1-5-2-3-7(13)9-6(12)4-8(11(14)15)16-10(5)9/h2-4,11H,1H3.
What are the key properties of 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline?
4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline has a molecular weight of 245.63 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethyl)-5-fluoro-8-methylquinoline is sourced from PubChem (CID 62891436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).