5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline

C12H15F2N — CID 63386189

IUPAC5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2cc(F)cc(F)c2C1
InChIInChI=1S/C12H15F2N/c1-2-3-8-4-10-11(14)5-9(13)6-12(10)15-7-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyKPVBBWXYNFHBSY-UHFFFAOYSA-N
MW211.25 g/mol
LogP3.35
Rot. Bonds2

About 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline

5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline (PubChem CID 63386189) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
PubChem CID63386189
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CNc2cc(F)cc(F)c2C1
InChIInChI=1S/C12H15F2N/c1-2-3-8-4-10-11(14)5-9(13)6-12(10)15-7-8/h5-6,8,15H,2-4,7H2,1H3
InChIKeyKPVBBWXYNFHBSY-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline (CID 63386189) is 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline is CCCC1CNc2cc(F)cc(F)c2C1.
What is the InChIKey of 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is KPVBBWXYNFHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c1-2-3-8-4-10-11(14)5-9(13)6-12(10)15-7-8/h5-6,8,15H,2-4,7H2,1H3.
What are the key properties of 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline?
5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 211.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-3-propyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 63386189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).