2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol

C13H15F2NO2 — CID 82983030

IUPAC2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
SMILESOc1c(F)cc(CN2CC3CCC(C2)O3)cc1F
InChIInChI=1S/C13H15F2NO2/c14-11-3-8(4-12(15)13(11)17)5-16-6-9-1-2-10(7-16)18-9/h3-4,9-10,17H,1-2,5-7H2
InChIKeyLUDZQPJJQZXUSB-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.03
Rot. Bonds2

About 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol

2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol (PubChem CID 82983030) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol.

Molecular Properties

Compound Name2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
PubChem CID82983030
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
SMILESOc1c(F)cc(CN2CC3CCC(C2)O3)cc1F
InChIInChI=1S/C13H15F2NO2/c14-11-3-8(4-12(15)13(11)17)5-16-6-9-1-2-10(7-16)18-9/h3-4,9-10,17H,1-2,5-7H2
InChIKeyLUDZQPJJQZXUSB-UHFFFAOYSA-N
XLogP2.03
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-6-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983263
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
3-[3-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]prop-2-enoic acid
CID 79700779
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-2,6-difluorophenol
CID 82981471
2,6-difluoro-4-[(4-propan-2-ylpiperidin-1-yl)methyl]phenol
CID 103887255
2-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983417
3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzoic acid
CID 66372220
1-[4-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-N-methylmethanamine
CID 107455267
3-methoxy-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 81150460
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2,6-difluorophenol
CID 82979964
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
CID 66371224
3-[(2-bromo-4-fluorophenyl)methyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66371349

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
The IUPAC name of 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol (CID 82983030) is 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol.
What is the SMILES notation for 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
The canonical SMILES for 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol is Oc1c(F)cc(CN2CC3CCC(C2)O3)cc1F.
What is the InChIKey of 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
The InChIKey is LUDZQPJJQZXUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-11-3-8(4-12(15)13(11)17)5-16-6-9-1-2-10(7-16)18-9/h3-4,9-10,17H,1-2,5-7H2.
What are the key properties of 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol?
2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol has a molecular weight of 255.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol is sourced from PubChem (CID 82983030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).