6,8-difluoro-3,3-dimethyl-2H-quinoline

C11H11F2N — CID 175797974

IUPAC6,8-difluoro-3,3-dimethyl-2H-quinoline
SMILESCC1(C)C=c2cc(F)cc(F)c2=NC1
InChIInChI=1S/C11H11F2N/c1-11(2)5-7-3-8(12)4-9(13)10(7)14-6-11/h3-5H,6H2,1-2H3
InChIKeySNXVQYYPIPAPLX-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.40
Rot. Bonds

About 6,8-difluoro-3,3-dimethyl-2H-quinoline

6,8-difluoro-3,3-dimethyl-2H-quinoline (PubChem CID 175797974) has the molecular formula C11H11F2N and a molecular weight of 195.21 g/mol. Its IUPAC name is 6,8-difluoro-3,3-dimethyl-2H-quinoline.

Molecular Properties

Compound Name6,8-difluoro-3,3-dimethyl-2H-quinoline
PubChem CID175797974
Molecular FormulaC11H11F2N
Molecular Weight195.21 g/mol
Exact Mass195.09
IUPAC Name6,8-difluoro-3,3-dimethyl-2H-quinoline
SMILESCC1(C)C=c2cc(F)cc(F)c2=NC1
InChIInChI=1S/C11H11F2N/c1-11(2)5-7-3-8(12)4-9(13)10(7)14-6-11/h3-5H,6H2,1-2H3
InChIKeySNXVQYYPIPAPLX-UHFFFAOYSA-N
XLogP1.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,3-dimethyl-2H-quinoline?
The IUPAC name of 6,8-difluoro-3,3-dimethyl-2H-quinoline (CID 175797974) is 6,8-difluoro-3,3-dimethyl-2H-quinoline.
What is the SMILES notation for 6,8-difluoro-3,3-dimethyl-2H-quinoline?
The canonical SMILES for 6,8-difluoro-3,3-dimethyl-2H-quinoline is CC1(C)C=c2cc(F)cc(F)c2=NC1.
What is the InChIKey of 6,8-difluoro-3,3-dimethyl-2H-quinoline?
The InChIKey is SNXVQYYPIPAPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N/c1-11(2)5-7-3-8(12)4-9(13)10(7)14-6-11/h3-5H,6H2,1-2H3.
What are the key properties of 6,8-difluoro-3,3-dimethyl-2H-quinoline?
6,8-difluoro-3,3-dimethyl-2H-quinoline has a molecular weight of 195.21 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,3-dimethyl-2H-quinoline is sourced from PubChem (CID 175797974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).