6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

C10H12FN — CID 591684

IUPAC6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(F)ccc2N1
InChIInChI=1S/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3
InChIKeyBDCCXYVTXRUGAN-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.57
Rot. Bonds

About 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 591684) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID591684
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(F)ccc2N1
InChIInChI=1S/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3
InChIKeyBDCCXYVTXRUGAN-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline (CID 591684) is 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(F)ccc2N1.
What is the InChIKey of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is BDCCXYVTXRUGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3.
What are the key properties of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline?
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 165.21 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 591684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).