1-fluorocarbazol-4-one

C12H6FNO — CID 87892356

IUPAC1-fluorocarbazol-4-one
SMILESO=C1C=CC(F)=C2N=c3ccccc3=C12
InChIInChI=1S/C12H6FNO/c13-8-5-6-10(15)11-7-3-1-2-4-9(7)14-12(8)11/h1-6H
InChIKeyUIEJHMXBNFHDNT-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.79
Rot. Bonds

About 1-fluorocarbazol-4-one

1-fluorocarbazol-4-one (PubChem CID 87892356) has the molecular formula C12H6FNO and a molecular weight of 199.18 g/mol. Its IUPAC name is 1-fluorocarbazol-4-one.

Molecular Properties

Compound Name1-fluorocarbazol-4-one
PubChem CID87892356
Molecular FormulaC12H6FNO
Molecular Weight199.18 g/mol
Exact Mass199.04
IUPAC Name1-fluorocarbazol-4-one
SMILESO=C1C=CC(F)=C2N=c3ccccc3=C12
InChIInChI=1S/C12H6FNO/c13-8-5-6-10(15)11-7-3-1-2-4-9(7)14-12(8)11/h1-6H
InChIKeyUIEJHMXBNFHDNT-UHFFFAOYSA-N
XLogP0.79
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluorocarbazol-4-one?
The IUPAC name of 1-fluorocarbazol-4-one (CID 87892356) is 1-fluorocarbazol-4-one.
What is the SMILES notation for 1-fluorocarbazol-4-one?
The canonical SMILES for 1-fluorocarbazol-4-one is O=C1C=CC(F)=C2N=c3ccccc3=C12.
What is the InChIKey of 1-fluorocarbazol-4-one?
The InChIKey is UIEJHMXBNFHDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6FNO/c13-8-5-6-10(15)11-7-3-1-2-4-9(7)14-12(8)11/h1-6H.
What are the key properties of 1-fluorocarbazol-4-one?
1-fluorocarbazol-4-one has a molecular weight of 199.18 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocarbazol-4-one is sourced from PubChem (CID 87892356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).