5,7-difluoro-2-(trifluoromethyl)quinoline

C10H4F5N — CID 11075309

IUPAC5,7-difluoro-2-(trifluoromethyl)quinoline
SMILESFc1cc(F)c2ccc(C(F)(F)F)nc2c1
InChIInChI=1S/C10H4F5N/c11-5-3-7(12)6-1-2-9(10(13,14)15)16-8(6)4-5/h1-4H
InChIKeyMANDGIZZFBIKPQ-UHFFFAOYSA-N
MW233.14 g/mol
LogP3.53
Rot. Bonds

About 5,7-difluoro-2-(trifluoromethyl)quinoline

5,7-difluoro-2-(trifluoromethyl)quinoline (PubChem CID 11075309) has the molecular formula C10H4F5N and a molecular weight of 233.14 g/mol. Its IUPAC name is 5,7-difluoro-2-(trifluoromethyl)quinoline.

Molecular Properties

Compound Name5,7-difluoro-2-(trifluoromethyl)quinoline
PubChem CID11075309
Molecular FormulaC10H4F5N
Molecular Weight233.14 g/mol
Exact Mass233.03
IUPAC Name5,7-difluoro-2-(trifluoromethyl)quinoline
SMILESFc1cc(F)c2ccc(C(F)(F)F)nc2c1
InChIInChI=1S/C10H4F5N/c11-5-3-7(12)6-1-2-9(10(13,14)15)16-8(6)4-5/h1-4H
InChIKeyMANDGIZZFBIKPQ-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.14
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-(trifluoromethyl)quinoline?
The IUPAC name of 5,7-difluoro-2-(trifluoromethyl)quinoline (CID 11075309) is 5,7-difluoro-2-(trifluoromethyl)quinoline.
What is the SMILES notation for 5,7-difluoro-2-(trifluoromethyl)quinoline?
The canonical SMILES for 5,7-difluoro-2-(trifluoromethyl)quinoline is Fc1cc(F)c2ccc(C(F)(F)F)nc2c1.
What is the InChIKey of 5,7-difluoro-2-(trifluoromethyl)quinoline?
The InChIKey is MANDGIZZFBIKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F5N/c11-5-3-7(12)6-1-2-9(10(13,14)15)16-8(6)4-5/h1-4H.
What are the key properties of 5,7-difluoro-2-(trifluoromethyl)quinoline?
5,7-difluoro-2-(trifluoromethyl)quinoline has a molecular weight of 233.14 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-(trifluoromethyl)quinoline is sourced from PubChem (CID 11075309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).