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

C20H18F4N2O — CID 134789172

IUPAC7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESFc1ccc(CN2CCC3(CC(c4cccc(C(F)(F)F)c4)=NO3)C2)cc1
InChIInChI=1S/C20H18F4N2O/c21-17-6-4-14(5-7-17)12-26-9-8-19(13-26)11-18(25-27-19)15-2-1-3-16(10-15)20(22,23)24/h1-7,10H,8-9,11-13H2
InChIKeyGMJAOBWZQFMOCE-UHFFFAOYSA-N
MW378.37 g/mol
LogP4.61
Rot. Bonds3

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

7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134789172) has the molecular formula C20H18F4N2O and a molecular weight of 378.37 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134789172
Molecular FormulaC20H18F4N2O
Molecular Weight378.37 g/mol
Exact Mass378.14
IUPAC Name7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESFc1ccc(CN2CCC3(CC(c4cccc(C(F)(F)F)c4)=NO3)C2)cc1
InChIInChI=1S/C20H18F4N2O/c21-17-6-4-14(5-7-17)12-26-9-8-19(13-26)11-18(25-27-19)15-2-1-3-16(10-15)20(22,23)24/h1-7,10H,8-9,11-13H2
InChIKeyGMJAOBWZQFMOCE-UHFFFAOYSA-N
XLogP4.61
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134789172) is 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is Fc1ccc(CN2CCC3(CC(c4cccc(C(F)(F)F)c4)=NO3)C2)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is GMJAOBWZQFMOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N2O/c21-17-6-4-14(5-7-17)12-26-9-8-19(13-26)11-18(25-27-19)15-2-1-3-16(10-15)20(22,23)24/h1-7,10H,8-9,11-13H2.
What are the key properties of 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 378.37 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134789172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).