2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one

C16H18FNO4 — CID 123720781

IUPAC2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one
SMILESO=C1OC2(CCCCC2)OC12CC(c1ccccc1F)NO2
InChIInChI=1S/C16H18FNO4/c17-12-7-3-2-6-11(12)13-10-16(22-18-13)14(19)20-15(21-16)8-4-1-5-9-15/h2-3,6-7,13,18H,1,4-5,8-10H2
InChIKeyNLFCPTJTPFYCDN-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.72
Rot. Bonds1

About 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one

2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one (PubChem CID 123720781) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one
PubChem CID123720781
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one
SMILESO=C1OC2(CCCCC2)OC12CC(c1ccccc1F)NO2
InChIInChI=1S/C16H18FNO4/c17-12-7-3-2-6-11(12)13-10-16(22-18-13)14(19)20-15(21-16)8-4-1-5-9-15/h2-3,6-7,13,18H,1,4-5,8-10H2
InChIKeyNLFCPTJTPFYCDN-UHFFFAOYSA-N
XLogP2.72
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one?
The IUPAC name of 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one (CID 123720781) is 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one?
The canonical SMILES for 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one is O=C1OC2(CCCCC2)OC12CC(c1ccccc1F)NO2.
What is the InChIKey of 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one?
The InChIKey is NLFCPTJTPFYCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4/c17-12-7-3-2-6-11(12)13-10-16(22-18-13)14(19)20-15(21-16)8-4-1-5-9-15/h2-3,6-7,13,18H,1,4-5,8-10H2.
What are the key properties of 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one?
2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one has a molecular weight of 307.32 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-4,6,13-trioxa-3-azadispiro[4.1.57.25]tetradecan-14-one is sourced from PubChem (CID 123720781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).