3,4,5-trifluoro-2-methylquinoline

C10H6F3N — CID 54570448

IUPAC3,4,5-trifluoro-2-methylquinoline
SMILESCc1nc2cccc(F)c2c(F)c1F
InChIInChI=1S/C10H6F3N/c1-5-9(12)10(13)8-6(11)3-2-4-7(8)14-5/h2-4H,1H3
InChIKeyZWWHCBRFSWATJC-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.96
Rot. Bonds

About 3,4,5-trifluoro-2-methylquinoline

3,4,5-trifluoro-2-methylquinoline (PubChem CID 54570448) has the molecular formula C10H6F3N and a molecular weight of 197.16 g/mol. Its IUPAC name is 3,4,5-trifluoro-2-methylquinoline.

Molecular Properties

Compound Name3,4,5-trifluoro-2-methylquinoline
PubChem CID54570448
Molecular FormulaC10H6F3N
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name3,4,5-trifluoro-2-methylquinoline
SMILESCc1nc2cccc(F)c2c(F)c1F
InChIInChI=1S/C10H6F3N/c1-5-9(12)10(13)8-6(11)3-2-4-7(8)14-5/h2-4H,1H3
InChIKeyZWWHCBRFSWATJC-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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Related Compounds

4,5-difluoro-2-methylquinazoline
CID 141141506
(4-chloro-5-fluoro-2-methylquinolin-3-yl)methanol
CID 58125399
(5-fluoro-4-methylquinazolin-2-yl)methanol
CID 177177290
5-fluoro-2-methyl-3H-quinazolin-4-one
CID 135438096
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
4,5-difluoro-3-methyl-2-(2-methylsulfonylphenyl)quinoline
CID 141294690
2-chloro-5-fluoroquinazolin-4-amine
CID 34181642
6,7-dimethyl-5-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaene
CID 86153815
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
8-fluoro-1-methylisoquinolin-3-amine
CID 53419053
2-bromo-5-fluoro-3-methylquinazolin-4-one
CID 175890826
4-chloro-2-(5-chloro-2-methylphenyl)-5-fluoroquinazoline
CID 114590235

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-2-methylquinoline?
The IUPAC name of 3,4,5-trifluoro-2-methylquinoline (CID 54570448) is 3,4,5-trifluoro-2-methylquinoline.
What is the SMILES notation for 3,4,5-trifluoro-2-methylquinoline?
The canonical SMILES for 3,4,5-trifluoro-2-methylquinoline is Cc1nc2cccc(F)c2c(F)c1F.
What is the InChIKey of 3,4,5-trifluoro-2-methylquinoline?
The InChIKey is ZWWHCBRFSWATJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N/c1-5-9(12)10(13)8-6(11)3-2-4-7(8)14-5/h2-4H,1H3.
What are the key properties of 3,4,5-trifluoro-2-methylquinoline?
3,4,5-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 3,4,5-trifluoro-2-methylquinoline is sourced from PubChem (CID 54570448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).