7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C14H17F2NO2 — CID 171961793

IUPAC7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(Cc2ccc(F)cc2F)CC2COCC(C1)N2
InChIInChI=1S/C14H17F2NO2/c15-10-2-1-9(13(16)3-10)4-14(18)5-11-7-19-8-12(6-14)17-11/h1-3,11-12,17-18H,4-8H2
InChIKeyOEJLJBMCSOKHRB-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.39
Rot. Bonds2

About 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171961793) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171961793
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESOC1(Cc2ccc(F)cc2F)CC2COCC(C1)N2
InChIInChI=1S/C14H17F2NO2/c15-10-2-1-9(13(16)3-10)4-14(18)5-11-7-19-8-12(6-14)17-11/h1-3,11-12,17-18H,4-8H2
InChIKeyOEJLJBMCSOKHRB-UHFFFAOYSA-N
XLogP1.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957119
3-[(2-chloro-4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 65145900
7-(5-fluoro-2-methylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171959249
3-[(5-fluoro-2-methylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171962325
2-[(7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methyl]benzonitrile
CID 171960760
benzyl 7-[(2,4-difluorophenyl)methyl]-7-hydroxy-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171961798
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 54595081
7-[2-(cyclopropylmethoxy)-5-fluorophenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957442
1-[(1S,5S)-3-[(2,4-difluorophenyl)methyl]-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2,2-trifluoroethanone
CID 124884376
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
(1S,5S)-3-[(2,4-difluorophenyl)methyl]-N-ethyl-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 98262122

Frequently Asked Questions

What is the IUPAC name of 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171961793) is 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is OC1(Cc2ccc(F)cc2F)CC2COCC(C1)N2.
What is the InChIKey of 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is OEJLJBMCSOKHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-10-2-1-9(13(16)3-10)4-14(18)5-11-7-19-8-12(6-14)17-11/h1-3,11-12,17-18H,4-8H2.
What are the key properties of 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 269.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,4-difluorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171961793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).