8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole

C13H15F2N — CID 163813737

IUPAC8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole
SMILESCC1=C2CC(F)(F)CCN2C2CC=CC=C12
InChIInChI=1S/C13H15F2N/c1-9-10-4-2-3-5-11(10)16-7-6-13(14,15)8-12(9)16/h2-4,11H,5-8H2,1H3
InChIKeyNPNJFEPVHLBTKE-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.26
Rot. Bonds

About 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole

8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole (PubChem CID 163813737) has the molecular formula C13H15F2N and a molecular weight of 223.27 g/mol. Its IUPAC name is 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole.

Molecular Properties

Compound Name8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole
PubChem CID163813737
Molecular FormulaC13H15F2N
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole
SMILESCC1=C2CC(F)(F)CCN2C2CC=CC=C12
InChIInChI=1S/C13H15F2N/c1-9-10-4-2-3-5-11(10)16-7-6-13(14,15)8-12(9)16/h2-4,11H,5-8H2,1H3
InChIKeyNPNJFEPVHLBTKE-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole?
The IUPAC name of 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole (CID 163813737) is 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole.
What is the SMILES notation for 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole?
The canonical SMILES for 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole is CC1=C2CC(F)(F)CCN2C2CC=CC=C12.
What is the InChIKey of 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole?
The InChIKey is NPNJFEPVHLBTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N/c1-9-10-4-2-3-5-11(10)16-7-6-13(14,15)8-12(9)16/h2-4,11H,5-8H2,1H3.
What are the key properties of 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole?
8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole has a molecular weight of 223.27 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-10-methyl-4a,6,7,9-tetrahydro-4H-pyrido[1,2-a]indole is sourced from PubChem (CID 163813737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).