8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one

C16H12FNO2 — CID 22625850

IUPAC8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one
SMILESC=C(C)c1c(N)ccc2c1c(=O)oc1c(F)cccc12
InChIInChI=1S/C16H12FNO2/c1-8(2)13-12(18)7-6-9-10-4-3-5-11(17)15(10)20-16(19)14(9)13/h3-7H,1,18H2,2H3
InChIKeyMXRWQKWRGGFXAJ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.70
Rot. Bonds1

About 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one

8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one (PubChem CID 22625850) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one
PubChem CID22625850
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one
SMILESC=C(C)c1c(N)ccc2c1c(=O)oc1c(F)cccc12
InChIInChI=1S/C16H12FNO2/c1-8(2)13-12(18)7-6-9-10-4-3-5-11(17)15(10)20-16(19)14(9)13/h3-7H,1,18H2,2H3
InChIKeyMXRWQKWRGGFXAJ-UHFFFAOYSA-N
XLogP3.70
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.70
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-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one?
The IUPAC name of 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one (CID 22625850) is 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one.
What is the SMILES notation for 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one?
The canonical SMILES for 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one is C=C(C)c1c(N)ccc2c1c(=O)oc1c(F)cccc12.
What is the InChIKey of 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one?
The InChIKey is MXRWQKWRGGFXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c1-8(2)13-12(18)7-6-9-10-4-3-5-11(17)15(10)20-16(19)14(9)13/h3-7H,1,18H2,2H3.
What are the key properties of 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one?
8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one has a molecular weight of 269.28 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-4-fluoro-7-prop-1-en-2-ylbenzo[c]chromen-6-one is sourced from PubChem (CID 22625850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).