5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline

C10H11F2N — CID 103585426

IUPAC5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)c2c(c1F)CCCN2
InChIInChI=1S/C10H11F2N/c1-6-5-8(11)10-7(9(6)12)3-2-4-13-10/h5,13H,2-4H2,1H3
InChIKeyMLTYRFFMROBYLT-UHFFFAOYSA-N
MW183.20 g/mol
LogP2.63
Rot. Bonds

About 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline

5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 103585426) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID103585426
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline
SMILESCc1cc(F)c2c(c1F)CCCN2
InChIInChI=1S/C10H11F2N/c1-6-5-8(11)10-7(9(6)12)3-2-4-13-10/h5,13H,2-4H2,1H3
InChIKeyMLTYRFFMROBYLT-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline (CID 103585426) is 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline is Cc1cc(F)c2c(c1F)CCCN2.
What is the InChIKey of 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is MLTYRFFMROBYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N/c1-6-5-8(11)10-7(9(6)12)3-2-4-13-10/h5,13H,2-4H2,1H3.
What are the key properties of 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline?
5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 183.20 g/mol, XLogP of 2.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluoro-6-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103585426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).