6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline

C12H14FN — CID 137417507

IUPAC6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline
SMILESCC1=CC(C)=NC2=CC=C(F)C(C)C12
InChIInChI=1S/C12H14FN/c1-7-6-8(2)14-11-5-4-10(13)9(3)12(7)11/h4-6,9,12H,1-3H3
InChIKeyHNZBDPBSSRQACO-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.41
Rot. Bonds

About 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline

6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline (PubChem CID 137417507) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline.

Molecular Properties

Compound Name6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline
PubChem CID137417507
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline
SMILESCC1=CC(C)=NC2=CC=C(F)C(C)C12
InChIInChI=1S/C12H14FN/c1-7-6-8(2)14-11-5-4-10(13)9(3)12(7)11/h4-6,9,12H,1-3H3
InChIKeyHNZBDPBSSRQACO-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline?
The IUPAC name of 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline (CID 137417507) is 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline.
What is the SMILES notation for 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline?
The canonical SMILES for 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline is CC1=CC(C)=NC2=CC=C(F)C(C)C12.
What is the InChIKey of 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline?
The InChIKey is HNZBDPBSSRQACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-7-6-8(2)14-11-5-4-10(13)9(3)12(7)11/h4-6,9,12H,1-3H3.
What are the key properties of 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline?
6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline has a molecular weight of 191.25 g/mol, XLogP of 3.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,4,5-trimethyl-4a,5-dihydroquinoline is sourced from PubChem (CID 137417507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).