1-amino-7-fluorofluoren-9-one

C13H8FNO — CID 70612921

IUPAC1-amino-7-fluorofluoren-9-one
SMILESNc1cccc2c1C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C13H8FNO/c14-7-4-5-8-9-2-1-3-11(15)12(9)13(16)10(8)6-7/h1-6H,15H2
InChIKeyDTSPUIVEGKQKQW-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.62
Rot. Bonds

About 1-amino-7-fluorofluoren-9-one

1-amino-7-fluorofluoren-9-one (PubChem CID 70612921) has the molecular formula C13H8FNO and a molecular weight of 213.21 g/mol. Its IUPAC name is 1-amino-7-fluorofluoren-9-one.

Molecular Properties

Compound Name1-amino-7-fluorofluoren-9-one
PubChem CID70612921
Molecular FormulaC13H8FNO
Molecular Weight213.21 g/mol
Exact Mass213.06
IUPAC Name1-amino-7-fluorofluoren-9-one
SMILESNc1cccc2c1C(=O)c1cc(F)ccc1-2
InChIInChI=1S/C13H8FNO/c14-7-4-5-8-9-2-1-3-11(15)12(9)13(16)10(8)6-7/h1-6H,15H2
InChIKeyDTSPUIVEGKQKQW-UHFFFAOYSA-N
XLogP2.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7-fluorofluoren-9-one?
The IUPAC name of 1-amino-7-fluorofluoren-9-one (CID 70612921) is 1-amino-7-fluorofluoren-9-one.
What is the SMILES notation for 1-amino-7-fluorofluoren-9-one?
The canonical SMILES for 1-amino-7-fluorofluoren-9-one is Nc1cccc2c1C(=O)c1cc(F)ccc1-2.
What is the InChIKey of 1-amino-7-fluorofluoren-9-one?
The InChIKey is DTSPUIVEGKQKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO/c14-7-4-5-8-9-2-1-3-11(15)12(9)13(16)10(8)6-7/h1-6H,15H2.
What are the key properties of 1-amino-7-fluorofluoren-9-one?
1-amino-7-fluorofluoren-9-one has a molecular weight of 213.21 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7-fluorofluoren-9-one is sourced from PubChem (CID 70612921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).