4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline

C11H4ClF6N — CID 63744575

IUPAC4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2c(F)c(F)cc(F)c2c1Cl
InChIInChI=1S/C11H4ClF6N/c1-3-7(12)6-4(13)2-5(14)8(15)9(6)19-10(3)11(16,17)18/h2H,1H3
InChIKeyLTAMYKRQFDUDEJ-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.63
Rot. Bonds

About 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline

4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline (PubChem CID 63744575) has the molecular formula C11H4ClF6N and a molecular weight of 299.60 g/mol. Its IUPAC name is 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline
PubChem CID63744575
Molecular FormulaC11H4ClF6N
Molecular Weight299.60 g/mol
Exact Mass298.99
IUPAC Name4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline
SMILESCc1c(C(F)(F)F)nc2c(F)c(F)cc(F)c2c1Cl
InChIInChI=1S/C11H4ClF6N/c1-3-7(12)6-4(13)2-5(14)8(15)9(6)19-10(3)11(16,17)18/h2H,1H3
InChIKeyLTAMYKRQFDUDEJ-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

9-Chloro-1,2,3,4-tetrahydroacridine
CID 21495
9-Chloroacridine
CID 71013
2-Chloro-3-(chloromethyl)quinoline
CID 2063384
7-Chloro-2-methylquinoline
CID 138395
2-Chloroquinoline
CID 11928
4-Chloro-2-trichloromethylquinoline
CID 618540
7-Chloro-2,4-dimethylquinoline
CID 605770
2-Chloro-3-ethylquinoline
CID 1084819
4-Chloro-2-phenylquinoline
CID 278376
2-Chloro-4-methylquinoline
CID 69449
4-Chloro-2-methylquinoline
CID 77973
2-Chloro-3-(chloromethyl)-7-methylquinoline
CID 820250

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline (CID 63744575) is 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline is Cc1c(C(F)(F)F)nc2c(F)c(F)cc(F)c2c1Cl.
What is the InChIKey of 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline?
The InChIKey is LTAMYKRQFDUDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4ClF6N/c1-3-7(12)6-4(13)2-5(14)8(15)9(6)19-10(3)11(16,17)18/h2H,1H3.
What are the key properties of 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline?
4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline has a molecular weight of 299.60 g/mol, XLogP of 4.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5,7,8-trifluoro-3-methyl-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 63744575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).