8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile

C18H8FNO3 — CID 162352535

IUPAC8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile
SMILESN#Cc1cc2ccc3oc(-c4ccc(F)cc4)cc3c2oc1=O
InChIInChI=1S/C18H8FNO3/c19-13-4-1-10(2-5-13)16-8-14-15(22-16)6-3-11-7-12(9-20)18(21)23-17(11)14/h1-8H
InChIKeyDCHDSIFGQWSNEE-UHFFFAOYSA-N
MW305.26 g/mol
LogP4.22
Rot. Bonds1

About 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile

8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile (PubChem CID 162352535) has the molecular formula C18H8FNO3 and a molecular weight of 305.26 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile.

Molecular Properties

Compound Name8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile
PubChem CID162352535
Molecular FormulaC18H8FNO3
Molecular Weight305.26 g/mol
Exact Mass305.05
IUPAC Name8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile
SMILESN#Cc1cc2ccc3oc(-c4ccc(F)cc4)cc3c2oc1=O
InChIInChI=1S/C18H8FNO3/c19-13-4-1-10(2-5-13)16-8-14-15(22-16)6-3-11-7-12(9-20)18(21)23-17(11)14/h1-8H
InChIKeyDCHDSIFGQWSNEE-UHFFFAOYSA-N
XLogP4.22
TPSA67.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile?
The IUPAC name of 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile (CID 162352535) is 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile.
What is the SMILES notation for 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile?
The canonical SMILES for 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile is N#Cc1cc2ccc3oc(-c4ccc(F)cc4)cc3c2oc1=O.
What is the InChIKey of 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile?
The InChIKey is DCHDSIFGQWSNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8FNO3/c19-13-4-1-10(2-5-13)16-8-14-15(22-16)6-3-11-7-12(9-20)18(21)23-17(11)14/h1-8H.
What are the key properties of 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile?
8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile has a molecular weight of 305.26 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-2-oxofuro[2,3-h]chromene-3-carbonitrile is sourced from PubChem (CID 162352535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).