6,7,8-trifluoro-2-methylquinoline

C10H6F3N — CID 51361075

IUPAC6,7,8-trifluoro-2-methylquinoline
SMILESCc1ccc2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H6F3N/c1-5-2-3-6-4-7(11)8(12)9(13)10(6)14-5/h2-4H,1H3
InChIKeyWTOCAHMOLGRXGS-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.96
Rot. Bonds

About 6,7,8-trifluoro-2-methylquinoline

6,7,8-trifluoro-2-methylquinoline (PubChem CID 51361075) has the molecular formula C10H6F3N and a molecular weight of 197.16 g/mol. Its IUPAC name is 6,7,8-trifluoro-2-methylquinoline.

Molecular Properties

Compound Name6,7,8-trifluoro-2-methylquinoline
PubChem CID51361075
Molecular FormulaC10H6F3N
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name6,7,8-trifluoro-2-methylquinoline
SMILESCc1ccc2cc(F)c(F)c(F)c2n1
InChIInChI=1S/C10H6F3N/c1-5-2-3-6-4-7(11)8(12)9(13)10(6)14-5/h2-4H,1H3
InChIKeyWTOCAHMOLGRXGS-UHFFFAOYSA-N
XLogP2.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

Tacrine
CID 1935
Quinoline
CID 7047
Acridine
CID 9215
Tacrine Hydrochloride
CID 2723754
9-Aminoacridine
CID 7019
2-Methylquinoline
CID 7060
9-Aminoacridine hydrochloride
CID 8643
4-Methylquinoline
CID 10285
8-Methylquinoline
CID 11910
2,6-Dimethylquinoline
CID 13414
2-Phenylquinoline
CID 71545
4-Amino-2-methylquinoline
CID 81116

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trifluoro-2-methylquinoline?
The IUPAC name of 6,7,8-trifluoro-2-methylquinoline (CID 51361075) is 6,7,8-trifluoro-2-methylquinoline.
What is the SMILES notation for 6,7,8-trifluoro-2-methylquinoline?
The canonical SMILES for 6,7,8-trifluoro-2-methylquinoline is Cc1ccc2cc(F)c(F)c(F)c2n1.
What is the InChIKey of 6,7,8-trifluoro-2-methylquinoline?
The InChIKey is WTOCAHMOLGRXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N/c1-5-2-3-6-4-7(11)8(12)9(13)10(6)14-5/h2-4H,1H3.
What are the key properties of 6,7,8-trifluoro-2-methylquinoline?
6,7,8-trifluoro-2-methylquinoline has a molecular weight of 197.16 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trifluoro-2-methylquinoline is sourced from PubChem (CID 51361075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).