(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline

C11H14FN — CID 139326096

IUPAC(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1Cc2ccccc2N[C@H]1CF
InChIInChI=1S/C11H14FN/c1-8-6-9-4-2-3-5-10(9)13-11(8)7-12/h2-5,8,11,13H,6-7H2,1H3/t8-,11+/m1/s1
InChIKeyZMALDXURBBHCPD-KCJUWKMLSA-N
MW179.24 g/mol
LogP2.63
Rot. Bonds1

About (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline

(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 139326096) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID139326096
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1Cc2ccccc2N[C@H]1CF
InChIInChI=1S/C11H14FN/c1-8-6-9-4-2-3-5-10(9)13-11(8)7-12/h2-5,8,11,13H,6-7H2,1H3/t8-,11+/m1/s1
InChIKeyZMALDXURBBHCPD-KCJUWKMLSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline 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 (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline (CID 139326096) is (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline is C[C@@H]1Cc2ccccc2N[C@H]1CF.
What is the InChIKey of (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZMALDXURBBHCPD-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H14FN/c1-8-6-9-4-2-3-5-10(9)13-11(8)7-12/h2-5,8,11,13H,6-7H2,1H3/t8-,11+/m1/s1.
What are the key properties of (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline?
(2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 179.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(fluoromethyl)-3-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 139326096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).