7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline

C9H9ClFN — CID 84718966

IUPAC7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFC1CNc2cc(Cl)ccc2C1
InChIInChI=1S/C9H9ClFN/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4,8,12H,3,5H2
InChIKeyHBYNYRKXEWRXTB-UHFFFAOYSA-N
MW185.63 g/mol
LogP2.65
Rot. Bonds

About 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline

7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 84718966) has the molecular formula C9H9ClFN and a molecular weight of 185.63 g/mol. Its IUPAC name is 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline
PubChem CID84718966
Molecular FormulaC9H9ClFN
Molecular Weight185.63 g/mol
Exact Mass185.04
IUPAC Name7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline
SMILESFC1CNc2cc(Cl)ccc2C1
InChIInChI=1S/C9H9ClFN/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4,8,12H,3,5H2
InChIKeyHBYNYRKXEWRXTB-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline (CID 84718966) is 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline is FC1CNc2cc(Cl)ccc2C1.
What is the InChIKey of 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is HBYNYRKXEWRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN/c10-7-2-1-6-3-8(11)5-12-9(6)4-7/h1-2,4,8,12H,3,5H2.
What are the key properties of 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline?
7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 185.63 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-fluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 84718966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).