4,6-difluoro-1,2,3,4-tetrahydroquinoline

C9H9F2N — CID 83853904

IUPAC4,6-difluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2c(c1)C(F)CCN2
InChIInChI=1S/C9H9F2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4H2
InChIKeyFNQCVXWZAXFQOT-UHFFFAOYSA-N
MW169.17 g/mol
LogP2.65
Rot. Bonds

About 4,6-difluoro-1,2,3,4-tetrahydroquinoline

4,6-difluoro-1,2,3,4-tetrahydroquinoline (PubChem CID 83853904) has the molecular formula C9H9F2N and a molecular weight of 169.17 g/mol. Its IUPAC name is 4,6-difluoro-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4,6-difluoro-1,2,3,4-tetrahydroquinoline
PubChem CID83853904
Molecular FormulaC9H9F2N
Molecular Weight169.17 g/mol
Exact Mass169.07
IUPAC Name4,6-difluoro-1,2,3,4-tetrahydroquinoline
SMILESFc1ccc2c(c1)C(F)CCN2
InChIInChI=1S/C9H9F2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4H2
InChIKeyFNQCVXWZAXFQOT-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 ≤ 500169.17
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4,6-difluoro-1,2,3,4-tetrahydroquinoline (CID 83853904) is 4,6-difluoro-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4,6-difluoro-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4,6-difluoro-1,2,3,4-tetrahydroquinoline is Fc1ccc2c(c1)C(F)CCN2.
What is the InChIKey of 4,6-difluoro-1,2,3,4-tetrahydroquinoline?
The InChIKey is FNQCVXWZAXFQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5,8,12H,3-4H2.
What are the key properties of 4,6-difluoro-1,2,3,4-tetrahydroquinoline?
4,6-difluoro-1,2,3,4-tetrahydroquinoline has a molecular weight of 169.17 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 4,6-difluoro-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 83853904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).