[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol

C9H16FNO2 — CID 169228003

IUPAC[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol
SMILESOCC1C2CC(CO2)N1CCCF
InChIInChI=1S/C9H16FNO2/c10-2-1-3-11-7-4-9(13-6-7)8(11)5-12/h7-9,12H,1-6H2
InChIKeyYLOZMIVJZVOWBJ-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.18
Rot. Bonds4

About [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol

[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol (PubChem CID 169228003) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol.

Molecular Properties

Compound Name[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol
PubChem CID169228003
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol
SMILESOCC1C2CC(CO2)N1CCCF
InChIInChI=1S/C9H16FNO2/c10-2-1-3-11-7-4-9(13-6-7)8(11)5-12/h7-9,12H,1-6H2
InChIKeyYLOZMIVJZVOWBJ-UHFFFAOYSA-N
XLogP0.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol with MolForge

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Related Compounds

(5-methyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl)methanol;hydrochloride
CID 138392534
[(1S,4R)-2-(2-fluoroethyl)-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 154990503
5-ethyl-2-oxa-5-azabicyclo[2.2.1]heptane-6-carboxylic acid
CID 105434698
3-bromo-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane
CID 81113685
5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 130934127
methyl 8-(3-fluoropropyl)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 18714484
[(1S,4R,5S)-2-oxabicyclo[2.1.1]hexan-5-yl]methanol
CID 130891139
methyl (2S)-8-(3-fluoropropyl)-3-phenyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 59077215
methyl 3-(azidomethyl)-8-(3-fluoropropyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 123594788
3-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-ol
CID 130741046
2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
CID 130686554
3-[(1S,4S)-5-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-ol
CID 134820979

Frequently Asked Questions

What is the IUPAC name of [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol?
The IUPAC name of [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol (CID 169228003) is [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol.
What is the SMILES notation for [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol?
The canonical SMILES for [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol is OCC1C2CC(CO2)N1CCCF.
What is the InChIKey of [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol?
The InChIKey is YLOZMIVJZVOWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c10-2-1-3-11-7-4-9(13-6-7)8(11)5-12/h7-9,12H,1-6H2.
What are the key properties of [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol?
[5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol has a molecular weight of 189.23 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-fluoropropyl)-2-oxa-5-azabicyclo[2.2.1]heptan-6-yl]methanol is sourced from PubChem (CID 169228003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).