6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline

C11H14FN — CID 139326271

IUPAC6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2cc(F)ccc2N(C)C1
InChIInChI=1S/C11H14FN/c1-8-5-9-6-10(12)3-4-11(9)13(2)7-8/h3-4,6,8H,5,7H2,1-2H3
InChIKeyLHOKWTGQNZCXIA-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.45
Rot. Bonds

About 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline

6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline (PubChem CID 139326271) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
PubChem CID139326271
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline
SMILESCC1Cc2cc(F)ccc2N(C)C1
InChIInChI=1S/C11H14FN/c1-8-5-9-6-10(12)3-4-11(9)13(2)7-8/h3-4,6,8H,5,7H2,1-2H3
InChIKeyLHOKWTGQNZCXIA-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline (CID 139326271) is 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline is CC1Cc2cc(F)ccc2N(C)C1.
What is the InChIKey of 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
The InChIKey is LHOKWTGQNZCXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-5-9-6-10(12)3-4-11(9)13(2)7-8/h3-4,6,8H,5,7H2,1-2H3.
What are the key properties of 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline?
6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline has a molecular weight of 179.24 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-dimethyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 139326271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).