carbazole-9-carbonyl fluoride

C13H8FNO — CID 45082000

IUPACcarbazole-9-carbonyl fluoride
SMILESO=C(F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C13H8FNO/c14-13(16)15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
InChIKeyKNZQMVKAGCFHGH-UHFFFAOYSA-N
MW213.21 g/mol
LogP3.73
Rot. Bonds

About carbazole-9-carbonyl fluoride

carbazole-9-carbonyl fluoride (PubChem CID 45082000) has the molecular formula C13H8FNO and a molecular weight of 213.21 g/mol. Its IUPAC name is carbazole-9-carbonyl fluoride.

Molecular Properties

Compound Namecarbazole-9-carbonyl fluoride
PubChem CID45082000
Molecular FormulaC13H8FNO
Molecular Weight213.21 g/mol
Exact Mass213.06
IUPAC Namecarbazole-9-carbonyl fluoride
SMILESO=C(F)n1c2ccccc2c2ccccc21
InChIInChI=1S/C13H8FNO/c14-13(16)15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
InChIKeyKNZQMVKAGCFHGH-UHFFFAOYSA-N
XLogP3.73
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

1-carbazol-9-yl-2,2,2-trifluoroethanone
CID 13072859
1-carbazol-9-ylethanone;ethane
CID 142183368
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
carbazol-9-yl-(4-fluorophenyl)methanone
CID 8852543
ethenyl carbazole-9-carboxylate
CID 21059227
1-carbazol-9-yl-2-methylbutan-1-one
CID 58981488
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
carbazole-1,9-dicarboxamide
CID 141418559
5-bromo-1-carbazol-9-ylpentan-1-one
CID 122483241
1-carbazol-9-yl-2-piperidin-1-ylethanone
CID 3510891
carbazol-9-yl(imidazol-1-yl)methanone
CID 164739630
S-(carbazole-9-carbothioyl) benzenecarbothioate
CID 146297922

Frequently Asked Questions

What is the IUPAC name of carbazole-9-carbonyl fluoride?
The IUPAC name of carbazole-9-carbonyl fluoride (CID 45082000) is carbazole-9-carbonyl fluoride.
What is the SMILES notation for carbazole-9-carbonyl fluoride?
The canonical SMILES for carbazole-9-carbonyl fluoride is O=C(F)n1c2ccccc2c2ccccc21.
What is the InChIKey of carbazole-9-carbonyl fluoride?
The InChIKey is KNZQMVKAGCFHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO/c14-13(16)15-11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H.
What are the key properties of carbazole-9-carbonyl fluoride?
carbazole-9-carbonyl fluoride has a molecular weight of 213.21 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbazole-9-carbonyl fluoride is sourced from PubChem (CID 45082000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).