3,5,6-trifluoro-2-methylquinoline

C10H6F3N — CID 22158739

IUPAC3,5,6-trifluoro-2-methylquinoline
SMILESCc1nc2ccc(F)c(F)c2cc1F
InChIInChI=1S/C10H6F3N/c1-5-8(12)4-6-9(14-5)3-2-7(11)10(6)13/h2-4H,1H3
InChIKeyJNMRLJPKLBEUTB-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.96
Rot. Bonds

About 3,5,6-trifluoro-2-methylquinoline

3,5,6-trifluoro-2-methylquinoline (PubChem CID 22158739) has the molecular formula C10H6F3N and a molecular weight of 197.16 g/mol. Its IUPAC name is 3,5,6-trifluoro-2-methylquinoline.

Molecular Properties

Compound Name3,5,6-trifluoro-2-methylquinoline
PubChem CID22158739
Molecular FormulaC10H6F3N
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name3,5,6-trifluoro-2-methylquinoline
SMILESCc1nc2ccc(F)c(F)c2cc1F
InChIInChI=1S/C10H6F3N/c1-5-8(12)4-6-9(14-5)3-2-7(11)10(6)13/h2-4H,1H3
InChIKeyJNMRLJPKLBEUTB-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

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trifluoro-2-methylquinoline?
The IUPAC name of 3,5,6-trifluoro-2-methylquinoline (CID 22158739) is 3,5,6-trifluoro-2-methylquinoline.
What is the SMILES notation for 3,5,6-trifluoro-2-methylquinoline?
The canonical SMILES for 3,5,6-trifluoro-2-methylquinoline is Cc1nc2ccc(F)c(F)c2cc1F.
What is the InChIKey of 3,5,6-trifluoro-2-methylquinoline?
The InChIKey is JNMRLJPKLBEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N/c1-5-8(12)4-6-9(14-5)3-2-7(11)10(6)13/h2-4H,1H3.
What are the key properties of 3,5,6-trifluoro-2-methylquinoline?
3,5,6-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 3,5,6-trifluoro-2-methylquinoline is sourced from PubChem (CID 22158739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).