7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C20H21FN2O2 — CID 134794346

IUPAC7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(C2=NOC3(CCN(Cc4ccc(F)cc4)C3)C2)cc1
InChIInChI=1S/C20H21FN2O2/c1-24-18-8-4-16(5-9-18)19-12-20(25-22-19)10-11-23(14-20)13-15-2-6-17(21)7-3-15/h2-9H,10-14H2,1H3
InChIKeySNDUCMKOQDHGPT-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.60
Rot. Bonds4

About 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene

7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134794346) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134794346
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(C2=NOC3(CCN(Cc4ccc(F)cc4)C3)C2)cc1
InChIInChI=1S/C20H21FN2O2/c1-24-18-8-4-16(5-9-18)19-12-20(25-22-19)10-11-23(14-20)13-15-2-6-17(21)7-3-15/h2-9H,10-14H2,1H3
InChIKeySNDUCMKOQDHGPT-UHFFFAOYSA-N
XLogP3.60
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134794346) is 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene is COc1ccc(C2=NOC3(CCN(Cc4ccc(F)cc4)C3)C2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is SNDUCMKOQDHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-24-18-8-4-16(5-9-18)19-12-20(25-22-19)10-11-23(14-20)13-15-2-6-17(21)7-3-15/h2-9H,10-14H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 340.40 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134794346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).