5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane

C15H19F2NO2 — CID 131643381

IUPAC5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane
SMILESCOC1C2CCC1N(Cc1ccc(F)c(F)c1)CCO2
InChIInChI=1S/C15H19F2NO2/c1-19-15-13-4-5-14(15)20-7-6-18(13)9-10-2-3-11(16)12(17)8-10/h2-3,8,13-15H,4-7,9H2,1H3
InChIKeyQVKQCUZEZBRGOV-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.34
Rot. Bonds3

About 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane

5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane (PubChem CID 131643381) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane
PubChem CID131643381
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane
SMILESCOC1C2CCC1N(Cc1ccc(F)c(F)c1)CCO2
InChIInChI=1S/C15H19F2NO2/c1-19-15-13-4-5-14(15)20-7-6-18(13)9-10-2-3-11(16)12(17)8-10/h2-3,8,13-15H,4-7,9H2,1H3
InChIKeyQVKQCUZEZBRGOV-UHFFFAOYSA-N
XLogP2.34
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(cyclopropylmethoxy)-5-[(3,4-difluorophenyl)methyl]-2-oxa-5-azabicyclo[4.2.1]nonane
CID 155875737
5-(1,3-benzodioxol-5-ylmethyl)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane;2,2,2-trifluoroacetic acid
CID 155861908
4-[(3-bromo-4-fluorophenyl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 54979617
(1S,6S,9S)-5-[2-(3,4-dimethoxyphenyl)ethyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane
CID 124797539
(4aS,7S,7aR)-4-[(3,4-difluorophenyl)methyl]-7-(pyridin-4-ylmethoxy)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 155877318
(1R,6R,9R)-9-ethoxy-5-[(3-methoxyphenyl)methyl]-2-oxa-5-azabicyclo[4.2.1]nonane
CID 98817590
4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-2-fluorobenzoic acid
CID 106699233
1-(3,4-difluorophenyl)-2-(6-methoxy-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)ethanol
CID 109397493
(3-chloro-4-fluorophenyl)-[(1R,6R,9S)-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
CID 98811724
9-[(3-fluoro-2-pyridinyl)oxy]-5-(pyridin-3-ylmethyl)-2-oxa-5-azabicyclo[4.2.1]nonane
CID 131641159
(3aR,5S,7aR)-N-cyclopropyl-1-[(3,4-difluorophenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide
CID 97461442
(3aR,5R,7aR)-1-[(4-fluorophenyl)methyl]-5-(methoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97379119

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane (CID 131643381) is 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane is COC1C2CCC1N(Cc1ccc(F)c(F)c1)CCO2.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane?
The InChIKey is QVKQCUZEZBRGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-19-15-13-4-5-14(15)20-7-6-18(13)9-10-2-3-11(16)12(17)8-10/h2-3,8,13-15H,4-7,9H2,1H3.
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane?
5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane has a molecular weight of 283.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-9-methoxy-2-oxa-5-azabicyclo[4.2.1]nonane is sourced from PubChem (CID 131643381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).