(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline

C10H11FN2O2 — CID 92982227

IUPAC(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CCc2cc(F)cc([N+](=O)[O-])c2N1
InChIInChI=1S/C10H11FN2O2/c1-6-2-3-7-4-8(11)5-9(13(14)15)10(7)12-6/h4-6,12H,2-3H2,1H3/t6-/m1/s1
InChIKeyZKBYYUCLCRPWFR-ZCFIWIBFSA-N
MW210.21 g/mol
LogP2.48
Rot. Bonds1

About (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline

(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline (PubChem CID 92982227) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
PubChem CID92982227
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline
SMILESC[C@@H]1CCc2cc(F)cc([N+](=O)[O-])c2N1
InChIInChI=1S/C10H11FN2O2/c1-6-2-3-7-4-8(11)5-9(13(14)15)10(7)12-6/h4-6,12H,2-3H2,1H3/t6-/m1/s1
InChIKeyZKBYYUCLCRPWFR-ZCFIWIBFSA-N
XLogP2.48
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline (CID 92982227) is (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline is C[C@@H]1CCc2cc(F)cc([N+](=O)[O-])c2N1.
What is the InChIKey of (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline?
The InChIKey is ZKBYYUCLCRPWFR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6-2-3-7-4-8(11)5-9(13(14)15)10(7)12-6/h4-6,12H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline?
(2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline has a molecular weight of 210.21 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-fluoro-2-methyl-8-nitro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 92982227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).