[3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

C15H17F2NO2 — CID 171947712

IUPAC[3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1cccc(C(F)F)c1)C1CC2COCC(C1)N2
InChIInChI=1S/C15H17F2NO2/c16-15(17)10-3-1-2-9(4-10)14(19)11-5-12-7-20-8-13(6-11)18-12/h1-4,11-13,15,18H,5-8H2
InChIKeyUJNZGZNVYWKBOB-UHFFFAOYSA-N
MW281.30 g/mol
LogP2.57
Rot. Bonds3

About [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone

[3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (PubChem CID 171947712) has the molecular formula C15H17F2NO2 and a molecular weight of 281.30 g/mol. Its IUPAC name is [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.

Molecular Properties

Compound Name[3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
PubChem CID171947712
Molecular FormulaC15H17F2NO2
Molecular Weight281.30 g/mol
Exact Mass281.12
IUPAC Name[3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
SMILESO=C(c1cccc(C(F)F)c1)C1CC2COCC(C1)N2
InChIInChI=1S/C15H17F2NO2/c16-15(17)10-3-1-2-9(4-10)14(19)11-5-12-7-20-8-13(6-11)18-12/h1-4,11-13,15,18H,5-8H2
InChIKeyUJNZGZNVYWKBOB-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The IUPAC name of [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone (CID 171947712) is [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone.
What is the SMILES notation for [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The canonical SMILES for [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is O=C(c1cccc(C(F)F)c1)C1CC2COCC(C1)N2.
What is the InChIKey of [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
The InChIKey is UJNZGZNVYWKBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO2/c16-15(17)10-3-1-2-9(4-10)14(19)11-5-12-7-20-8-13(6-11)18-12/h1-4,11-13,15,18H,5-8H2.
What are the key properties of [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone?
[3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone has a molecular weight of 281.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)phenyl]-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone is sourced from PubChem (CID 171947712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).