4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane

C16H22F2N2O — CID 88924385

IUPAC4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFC(F)CN1CC(c2ccccc2)OC2(CCNCC2)C1
InChIInChI=1S/C16H22F2N2O/c17-15(18)11-20-10-14(13-4-2-1-3-5-13)21-16(12-20)6-8-19-9-7-16/h1-5,14-15,19H,6-12H2
InChIKeyVWIRZUAYNFZKIX-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.45
Rot. Bonds3

About 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane

4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 88924385) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID88924385
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESFC(F)CN1CC(c2ccccc2)OC2(CCNCC2)C1
InChIInChI=1S/C16H22F2N2O/c17-15(18)11-20-10-14(13-4-2-1-3-5-13)21-16(12-20)6-8-19-9-7-16/h1-5,14-15,19H,6-12H2
InChIKeyVWIRZUAYNFZKIX-UHFFFAOYSA-N
XLogP2.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 88924385) is 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane is FC(F)CN1CC(c2ccccc2)OC2(CCNCC2)C1.
What is the InChIKey of 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is VWIRZUAYNFZKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c17-15(18)11-20-10-14(13-4-2-1-3-5-13)21-16(12-20)6-8-19-9-7-16/h1-5,14-15,19H,6-12H2.
What are the key properties of 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 296.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2-phenyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 88924385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).