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

C9H9ClFN — CID 16794466

IUPAC8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(Cl)c2c(c1)CCCN2
InChIInChI=1S/C9H9ClFN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2
InChIKeyDRALUZCRYBRUGV-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.84
Rot. Bonds

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

8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 16794466) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID16794466
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1cc(Cl)c2c(c1)CCCN2
InChIInChI=1S/C9H9ClFN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2
InChIKeyDRALUZCRYBRUGV-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.63
LogP ≤ 52.84
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-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline (CID 16794466) is 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline is Fc1cc(Cl)c2c(c1)CCCN2.
What is the InChIKey of 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is DRALUZCRYBRUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-8-5-7(11)4-6-2-1-3-12-9(6)8/h4-5,12H,1-3H2.
What are the key properties of 8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline?
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 185.63 g/mol, XLogP of 2.84, 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-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 16794466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).