4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline

C12H8F5NO — CID 130247540

IUPAC4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cccc2c(C(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H8F5NO/c1-19-8-4-2-3-6-7(11(13)14)5-9(12(15,16)17)18-10(6)8/h2-5,11H,1H3
InChIKeyAZUHUHQHLRJIRC-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.20
Rot. Bonds2

About 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline

4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 130247540) has the molecular formula C12H8F5NO and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
PubChem CID130247540
Molecular FormulaC12H8F5NO
Molecular Weight277.19 g/mol
Exact Mass277.05
IUPAC Name4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1cccc2c(C(F)F)cc(C(F)(F)F)nc12
InChIInChI=1S/C12H8F5NO/c1-19-8-4-2-3-6-7(11(13)14)5-9(12(15,16)17)18-10(6)8/h2-5,11H,1H3
InChIKeyAZUHUHQHLRJIRC-UHFFFAOYSA-N
XLogP4.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-8-hydroxyquinoline
CID 13224
4-Amino-6-methoxy-2-(trifluoromethyl)-3-quinolinecarbonitrile
CID 824060
2-Chloro-6-methoxy-4-methylquinoline
CID 224788
6-Methoxyquinaldine
CID 70648
8-Methoxy-2-Methylquinoline
CID 316986
9-Methoxyacridine
CID 99383
4-Methoxy-2-Phenylquinoline
CID 826247
8-Methoxyquinolin-2-amine
CID 22266820
8-Methoxyquinoline
CID 70310
6-Ethoxy-2-methylquinoline
CID 81118
6-Methoxy-4-methylquinoline
CID 258761
SK&F 96079
CID 196776

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline (CID 130247540) is 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline is COc1cccc2c(C(F)F)cc(C(F)(F)F)nc12.
What is the InChIKey of 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline?
The InChIKey is AZUHUHQHLRJIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5NO/c1-19-8-4-2-3-6-7(11(13)14)5-9(12(15,16)17)18-10(6)8/h2-5,11H,1H3.
What are the key properties of 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline?
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline has a molecular weight of 277.19 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 130247540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).