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

C10H11ClFN — CID 130530778

IUPAC8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H11ClFN/c1-6-2-3-13-10-8(6)4-7(12)5-9(10)11/h4-6,13H,2-3H2,1H3
InChIKeySSAZGRWXCBMEAK-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.40
Rot. Bonds

About 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline

8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline (PubChem CID 130530778) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline
PubChem CID130530778
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC Name8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CCNc2c(Cl)cc(F)cc21
InChIInChI=1S/C10H11ClFN/c1-6-2-3-13-10-8(6)4-7(12)5-9(10)11/h4-6,13H,2-3H2,1H3
InChIKeySSAZGRWXCBMEAK-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline (CID 130530778) is 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline is CC1CCNc2c(Cl)cc(F)cc21.
What is the InChIKey of 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is SSAZGRWXCBMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-6-2-3-13-10-8(6)4-7(12)5-9(10)11/h4-6,13H,2-3H2,1H3.
What are the key properties of 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline?
8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 199.66 g/mol, XLogP of 3.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-4-methyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 130530778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).