(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline

C12H16FN — CID 97297931

IUPAC(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESC[C@@H]1CC(C)(C)Nc2cc(F)ccc21
InChIInChI=1S/C12H16FN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7H2,1-3H3/t8-/m1/s1
InChIKeyYSWZQEZZAZXWAM-MRVPVSSYSA-N
MW193.26 g/mol
LogP3.52
Rot. Bonds

About (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline

(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline (PubChem CID 97297931) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
PubChem CID97297931
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline
SMILESC[C@@H]1CC(C)(C)Nc2cc(F)ccc21
InChIInChI=1S/C12H16FN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7H2,1-3H3/t8-/m1/s1
InChIKeyYSWZQEZZAZXWAM-MRVPVSSYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The IUPAC name of (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline (CID 97297931) is (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline.
What is the SMILES notation for (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The canonical SMILES for (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline is C[C@@H]1CC(C)(C)Nc2cc(F)ccc21.
What is the InChIKey of (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
The InChIKey is YSWZQEZZAZXWAM-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16FN/c1-8-7-12(2,3)14-11-6-9(13)4-5-10(8)11/h4-6,8,14H,7H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline?
(4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline has a molecular weight of 193.26 g/mol, XLogP of 3.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-2,2,4-trimethyl-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 97297931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).