8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one

C12H10FNO — CID 65333661

IUPAC8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
SMILESO=C1CCc2[nH]c3c(F)cccc3c2C1
InChIInChI=1S/C12H10FNO/c13-10-3-1-2-8-9-6-7(15)4-5-11(9)14-12(8)10/h1-3,14H,4-6H2
InChIKeyDHDSIBZJYPKGEA-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.36
Rot. Bonds

About 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one

8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one (PubChem CID 65333661) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one.

Molecular Properties

Compound Name8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
PubChem CID65333661
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC Name8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one
SMILESO=C1CCc2[nH]c3c(F)cccc3c2C1
InChIInChI=1S/C12H10FNO/c13-10-3-1-2-8-9-6-7(15)4-5-11(9)14-12(8)10/h1-3,14H,4-6H2
InChIKeyDHDSIBZJYPKGEA-UHFFFAOYSA-N
XLogP2.36
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
The IUPAC name of 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one (CID 65333661) is 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one.
What is the SMILES notation for 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
The canonical SMILES for 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one is O=C1CCc2[nH]c3c(F)cccc3c2C1.
What is the InChIKey of 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
The InChIKey is DHDSIBZJYPKGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c13-10-3-1-2-8-9-6-7(15)4-5-11(9)14-12(8)10/h1-3,14H,4-6H2.
What are the key properties of 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one?
8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one has a molecular weight of 203.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1,2,4,9-tetrahydrocarbazol-3-one is sourced from PubChem (CID 65333661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).