3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole

C12H11F2N — CID 135193103

IUPAC3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole
SMILESFC1=CC2C3=CC(F)CC=C3NC2C=C1
InChIInChI=1S/C12H11F2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1,3-6,8-9,11,15H,2H2
InChIKeyLWPZFAYGDZAOSA-UHFFFAOYSA-N
MW207.22 g/mol
LogP2.55
Rot. Bonds

About 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole

3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole (PubChem CID 135193103) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole.

Molecular Properties

Compound Name3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole
PubChem CID135193103
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole
SMILESFC1=CC2C3=CC(F)CC=C3NC2C=C1
InChIInChI=1S/C12H11F2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1,3-6,8-9,11,15H,2H2
InChIKeyLWPZFAYGDZAOSA-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
The IUPAC name of 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole (CID 135193103) is 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole.
What is the SMILES notation for 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
The canonical SMILES for 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole is FC1=CC2C3=CC(F)CC=C3NC2C=C1.
What is the InChIKey of 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
The InChIKey is LWPZFAYGDZAOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1,3-6,8-9,11,15H,2H2.
What are the key properties of 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole has a molecular weight of 207.22 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-difluoro-3,4b,8a,9-tetrahydro-2H-carbazole is sourced from PubChem (CID 135193103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).