(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol

C14H18FNO2 — CID 114059199

IUPAC(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(F)c1N1CC2CCC(C1)O2
InChIInChI=1S/C14H18FNO2/c1-9(17)12-3-2-4-13(15)14(12)16-7-10-5-6-11(8-16)18-10/h2-4,9-11,17H,5-8H2,1H3/t9-,10?,11?/m1/s1
InChIKeyZGWMNNBERIDJQC-KPPDAEKUSA-N
MW251.30 g/mol
LogP2.25
Rot. Bonds2

About (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol

(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol (PubChem CID 114059199) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol
PubChem CID114059199
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol
SMILESC[C@@H](O)c1cccc(F)c1N1CC2CCC(C1)O2
InChIInChI=1S/C14H18FNO2/c1-9(17)12-3-2-4-13(15)14(12)16-7-10-5-6-11(8-16)18-10/h2-4,9-11,17H,5-8H2,1H3/t9-,10?,11?/m1/s1
InChIKeyZGWMNNBERIDJQC-KPPDAEKUSA-N
XLogP2.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol with MolForge

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Related Compounds

1-[2-fluoro-6-(1-hydroxyethyl)phenyl]pyrrolidine-3,4-diol
CID 114059264
(1R)-1-[3-fluoro-2-(3-methylpiperidin-1-yl)phenyl]ethanol
CID 114059063
(1R)-1-[3-fluoro-2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 114059080
1-[3-fluoro-2-(2-methyl-1,4-oxazepan-4-yl)phenyl]ethanol
CID 114059166
1-[2-(4,4-difluoropiperidin-1-yl)-3-fluorophenyl]ethanol
CID 175324243
1-[3-fluoro-2-[2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanol
CID 114059212
1-[2-(2,5-dimethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 114059102
1-[2-(2,2-dimethylpyrrolidin-1-yl)-3-fluorophenyl]ethanol
CID 114059172
4-[2-fluoro-6-(1-hydroxyethyl)phenyl]-3-methylpiperazin-2-one
CID 114059174
1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 43505903
3-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
CID 107112275
(1R)-1-[2-(2,6-dimethylmorpholin-4-yl)-6-fluorophenyl]ethanol
CID 55184646

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol (CID 114059199) is (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol is C[C@@H](O)c1cccc(F)c1N1CC2CCC(C1)O2.
What is the InChIKey of (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol?
The InChIKey is ZGWMNNBERIDJQC-KPPDAEKUSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9(17)12-3-2-4-13(15)14(12)16-7-10-5-6-11(8-16)18-10/h2-4,9-11,17H,5-8H2,1H3/t9-,10?,11?/m1/s1.
What are the key properties of (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol?
(1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol has a molecular weight of 251.30 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanol is sourced from PubChem (CID 114059199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).