8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

C17H16FNO — CID 3154691

IUPAC8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESFc1ccc2c(c1)C1OCCC1C(c1ccccc1)N2
InChIInChI=1S/C17H16FNO/c18-12-6-7-15-14(10-12)17-13(8-9-20-17)16(19-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,19H,8-9H2
InChIKeyAECRXVHTIRYSNF-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.07
Rot. Bonds1

About 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline

8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (PubChem CID 3154691) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.

Molecular Properties

Compound Name8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
PubChem CID3154691
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
SMILESFc1ccc2c(c1)C1OCCC1C(c1ccccc1)N2
InChIInChI=1S/C17H16FNO/c18-12-6-7-15-14(10-12)17-13(8-9-20-17)16(19-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,19H,8-9H2
InChIKeyAECRXVHTIRYSNF-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The IUPAC name of 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline (CID 3154691) is 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline.
What is the SMILES notation for 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The canonical SMILES for 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is Fc1ccc2c(c1)C1OCCC1C(c1ccccc1)N2.
What is the InChIKey of 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
The InChIKey is AECRXVHTIRYSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c18-12-6-7-15-14(10-12)17-13(8-9-20-17)16(19-15)11-4-2-1-3-5-11/h1-7,10,13,16-17,19H,8-9H2.
What are the key properties of 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline?
8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline has a molecular weight of 269.32 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline is sourced from PubChem (CID 3154691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).