4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline

C12H8F5NO — CID 130248319

IUPAC4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(C(F)(F)F)cc(C(F)F)c2c1
InChIInChI=1S/C12H8F5NO/c1-19-6-2-3-9-7(4-6)8(11(13)14)5-10(18-9)12(15,16)17/h2-5,11H,1H3
InChIKeyKSEZLSQGVBDKIM-UHFFFAOYSA-N
MW277.19 g/mol
LogP4.20
Rot. Bonds2

About 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline

4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline (PubChem CID 130248319) has the molecular formula C12H8F5NO and a molecular weight of 277.19 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline
PubChem CID130248319
Molecular FormulaC12H8F5NO
Molecular Weight277.19 g/mol
Exact Mass277.05
IUPAC Name4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline
SMILESCOc1ccc2nc(C(F)(F)F)cc(C(F)F)c2c1
InChIInChI=1S/C12H8F5NO/c1-19-6-2-3-9-7(4-6)8(11(13)14)5-10(18-9)12(15,16)17/h2-5,11H,1H3
InChIKeyKSEZLSQGVBDKIM-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

4-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)quinoline
CID 130246716
6-methoxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)quinoline
CID 135018947
1-(2-tert-butyl-6-methoxyquinolin-4-yl)ethanamine
CID 82449834
4-(4-chlorophenyl)-6-methoxy-2-(trifluoromethyl)quinoline
CID 135018951
4-(difluoromethyl)-8-methoxy-2-(trifluoromethyl)quinoline
CID 130247540
4-(difluoromethyl)-2-methoxy-6-(trifluoromethyl)pyridin-3-ol
CID 118812322
6-methoxy-1-methyl-3-(trifluoromethyl)isoquinoline
CID 154488566
6-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743568
2-tert-butyl-6-methoxyquinolin-4-amine
CID 55045942
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
6-methoxy-N-methyl-4-propan-2-ylquinoline-2-carboxamide
CID 167327578
2-(6-methoxy-2-methylquinolin-4-yl)propan-2-ol
CID 82449762

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline?
The IUPAC name of 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline (CID 130248319) is 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline?
The canonical SMILES for 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline is COc1ccc2nc(C(F)(F)F)cc(C(F)F)c2c1.
What is the InChIKey of 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline?
The InChIKey is KSEZLSQGVBDKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5NO/c1-19-6-2-3-9-7(4-6)8(11(13)14)5-10(18-9)12(15,16)17/h2-5,11H,1H3.
What are the key properties of 4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)quinoline?
4-(difluoromethyl)-6-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)-6-methoxy-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 130248319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).