8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one

C14H10FNO2 — CID 58027133

IUPAC8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one
SMILESCc1cc(N)cc2c(=O)oc3cc(F)ccc3c12
InChIInChI=1S/C14H10FNO2/c1-7-4-9(16)6-11-13(7)10-3-2-8(15)5-12(10)18-14(11)17/h2-6H,16H2,1H3
InChIKeyBPJZPQPAVDCLEW-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.98
Rot. Bonds

About 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one

8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one (PubChem CID 58027133) has the molecular formula C14H10FNO2 and a molecular weight of 243.24 g/mol. Its IUPAC name is 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one
PubChem CID58027133
Molecular FormulaC14H10FNO2
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one
SMILESCc1cc(N)cc2c(=O)oc3cc(F)ccc3c12
InChIInChI=1S/C14H10FNO2/c1-7-4-9(16)6-11-13(7)10-3-2-8(15)5-12(10)18-14(11)17/h2-6H,16H2,1H3
InChIKeyBPJZPQPAVDCLEW-UHFFFAOYSA-N
XLogP2.98
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one?
The IUPAC name of 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one (CID 58027133) is 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one?
The canonical SMILES for 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one is Cc1cc(N)cc2c(=O)oc3cc(F)ccc3c12.
What is the InChIKey of 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one?
The InChIKey is BPJZPQPAVDCLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO2/c1-7-4-9(16)6-11-13(7)10-3-2-8(15)5-12(10)18-14(11)17/h2-6H,16H2,1H3.
What are the key properties of 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one?
8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one has a molecular weight of 243.24 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-fluoro-10-methylbenzo[c]chromen-6-one is sourced from PubChem (CID 58027133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).