3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one

C15H12FNO2 — CID 167607300

IUPAC3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one
SMILESCC(F)c1ccc2c(c1)c(=O)oc1cc(N)ccc12
InChIInChI=1S/C15H12FNO2/c1-8(16)9-2-4-11-12-5-3-10(17)7-14(12)19-15(18)13(11)6-9/h2-8H,17H2,1H3
InChIKeyOUFZLDGYGIUBRZ-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.56
Rot. Bonds1

About 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one

3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one (PubChem CID 167607300) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one
PubChem CID167607300
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one
SMILESCC(F)c1ccc2c(c1)c(=O)oc1cc(N)ccc12
InChIInChI=1S/C15H12FNO2/c1-8(16)9-2-4-11-12-5-3-10(17)7-14(12)19-15(18)13(11)6-9/h2-8H,17H2,1H3
InChIKeyOUFZLDGYGIUBRZ-UHFFFAOYSA-N
XLogP3.56
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.56
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 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one?
The IUPAC name of 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one (CID 167607300) is 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one.
What is the SMILES notation for 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one?
The canonical SMILES for 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one is CC(F)c1ccc2c(c1)c(=O)oc1cc(N)ccc12.
What is the InChIKey of 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one?
The InChIKey is OUFZLDGYGIUBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c1-8(16)9-2-4-11-12-5-3-10(17)7-14(12)19-15(18)13(11)6-9/h2-8H,17H2,1H3.
What are the key properties of 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one?
3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one has a molecular weight of 257.26 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-(1-fluoroethyl)benzo[c]chromen-6-one is sourced from PubChem (CID 167607300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).