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

C12H12FN — CID 138572081

IUPAC6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole
SMILESFC1=CC2C3=CCCC=C3NC2C=C1
InChIInChI=1S/C12H12FN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h3-7,10,12,14H,1-2H2
InChIKeyWCOBMIMHDZNWNQ-UHFFFAOYSA-N
MW189.23 g/mol
LogP2.60
Rot. Bonds

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

6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole (PubChem CID 138572081) has the molecular formula C12H12FN and a molecular weight of 189.23 g/mol. Its IUPAC name is 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole.

Molecular Properties

Compound Name6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole
PubChem CID138572081
Molecular FormulaC12H12FN
Molecular Weight189.23 g/mol
Exact Mass189.10
IUPAC Name6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole
SMILESFC1=CC2C3=CCCC=C3NC2C=C1
InChIInChI=1S/C12H12FN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h3-7,10,12,14H,1-2H2
InChIKeyWCOBMIMHDZNWNQ-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
The IUPAC name of 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole (CID 138572081) is 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole.
What is the SMILES notation for 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
The canonical SMILES for 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole is FC1=CC2C3=CCCC=C3NC2C=C1.
What is the InChIKey of 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
The InChIKey is WCOBMIMHDZNWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h3-7,10,12,14H,1-2H2.
What are the key properties of 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole?
6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole has a molecular weight of 189.23 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,4b,8a,9-tetrahydro-2H-carbazole is sourced from PubChem (CID 138572081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).