[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-[3-(difluoromethyl)phenyl]methanone
CID 171947714
[3-(difluoromethyl)phenyl]-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947702
3-(difluoromethyl)benzoyl chloride
CID 58552883
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(3-propan-2-ylphenyl)methanone
CID 171947769
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-(1-propan-2-ylpyrazol-4-yl)methanone
CID 171944085
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,2-oxazol-5-yl)phenyl]methanone
CID 171948528
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939616
9-azabicyclo[3.3.1]nonan-3-yl-[3-(trifluoromethyl)phenyl]methanone
CID 171941494
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(3-propan-2-ylphenyl)methanone
CID 171947789
2-[3-(difluoromethoxy)phenyl]-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 171949103
(1-methylindazol-6-yl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171942167

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).