7,8-difluoro-3-propan-2-ylquinoline

C12H11F2N — CID 168882990

IUPAC7,8-difluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C12H11F2N/c1-7(2)9-5-8-3-4-10(13)11(14)12(8)15-6-9/h3-7H,1-2H3
InChIKeyHJEMIGYGTJQMOG-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.64
Rot. Bonds1

About 7,8-difluoro-3-propan-2-ylquinoline

7,8-difluoro-3-propan-2-ylquinoline (PubChem CID 168882990) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is 7,8-difluoro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name7,8-difluoro-3-propan-2-ylquinoline
PubChem CID168882990
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name7,8-difluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C12H11F2N/c1-7(2)9-5-8-3-4-10(13)11(14)12(8)15-6-9/h3-7H,1-2H3
InChIKeyHJEMIGYGTJQMOG-UHFFFAOYSA-N
XLogP3.64
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-3-propan-2-ylquinoline?
The IUPAC name of 7,8-difluoro-3-propan-2-ylquinoline (CID 168882990) is 7,8-difluoro-3-propan-2-ylquinoline.
What is the SMILES notation for 7,8-difluoro-3-propan-2-ylquinoline?
The canonical SMILES for 7,8-difluoro-3-propan-2-ylquinoline is CC(C)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of 7,8-difluoro-3-propan-2-ylquinoline?
The InChIKey is HJEMIGYGTJQMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N/c1-7(2)9-5-8-3-4-10(13)11(14)12(8)15-6-9/h3-7H,1-2H3.
What are the key properties of 7,8-difluoro-3-propan-2-ylquinoline?
7,8-difluoro-3-propan-2-ylquinoline has a molecular weight of 207.22 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-3-propan-2-ylquinoline is sourced from PubChem (CID 168882990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).