4-chloro-2-methyl-8-(trifluoromethyl)quinoline

C11H7ClF3N — CID 17039581

IUPAC4-chloro-2-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cc(Cl)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C11H7ClF3N/c1-6-5-9(12)7-3-2-4-8(10(7)16-6)11(13,14)15/h2-5H,1H3
InChIKeyFHGWTLJPECDLOJ-UHFFFAOYSA-N
MW245.63 g/mol
LogP4.22
Rot. Bonds

About 4-chloro-2-methyl-8-(trifluoromethyl)quinoline

4-chloro-2-methyl-8-(trifluoromethyl)quinoline (PubChem CID 17039581) has the molecular formula C11H7ClF3N and a molecular weight of 245.63 g/mol. Its IUPAC name is 4-chloro-2-methyl-8-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-2-methyl-8-(trifluoromethyl)quinoline
PubChem CID17039581
Molecular FormulaC11H7ClF3N
Molecular Weight245.63 g/mol
Exact Mass245.02
IUPAC Name4-chloro-2-methyl-8-(trifluoromethyl)quinoline
SMILESCc1cc(Cl)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C11H7ClF3N/c1-6-5-9(12)7-3-2-4-8(10(7)16-6)11(13,14)15/h2-5H,1H3
InChIKeyFHGWTLJPECDLOJ-UHFFFAOYSA-N
XLogP4.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-8-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-2-methyl-8-(trifluoromethyl)quinoline (CID 17039581) is 4-chloro-2-methyl-8-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-2-methyl-8-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-2-methyl-8-(trifluoromethyl)quinoline is Cc1cc(Cl)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of 4-chloro-2-methyl-8-(trifluoromethyl)quinoline?
The InChIKey is FHGWTLJPECDLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N/c1-6-5-9(12)7-3-2-4-8(10(7)16-6)11(13,14)15/h2-5H,1H3.
What are the key properties of 4-chloro-2-methyl-8-(trifluoromethyl)quinoline?
4-chloro-2-methyl-8-(trifluoromethyl)quinoline has a molecular weight of 245.63 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-8-(trifluoromethyl)quinoline is sourced from PubChem (CID 17039581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).