8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane

C10H18FNO2 — CID 170082067

IUPAC8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOCC(F)CN1C2CCC1COC2
InChIInChI=1S/C10H18FNO2/c1-13-5-8(11)4-12-9-2-3-10(12)7-14-6-9/h8-10H,2-7H2,1H3
InChIKeyDHKMTUVFCMPSOJ-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.83
Rot. Bonds4

About 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane

8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 170082067) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID170082067
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCOCC(F)CN1C2CCC1COC2
InChIInChI=1S/C10H18FNO2/c1-13-5-8(11)4-12-9-2-3-10(12)7-14-6-9/h8-10H,2-7H2,1H3
InChIKeyDHKMTUVFCMPSOJ-UHFFFAOYSA-N
XLogP0.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

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Related Compounds

6,6-Difluoro-8-methyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 132156066
6,7-Difluoro-8-methyl-3-oxa-8-azabicyclo[3.2.1]octane
CID 137453683
3-Fluoro-5-(methoxymethyl)-1,2-dimethylpyrrolidine
CID 153584576
1-(3-Fluoropropyl)-2-(methoxymethyl)-5-(propan-2-yloxymethyl)pyrrolidine
CID 163889614
2-(Ethoxymethyl)-1-(3-fluoropropyl)-5-(methoxymethyl)pyrrolidine
CID 166984345
(2R,3R,5S)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
CID 168880909
(2S,3R,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
CID 168881053
(2R,3S,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
CID 168881150
(2S,3S,5S)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
CID 168881316
(2S,3R,5S)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
CID 168881565
(2R,3R,5R)-3-fluoro-2-(methoxymethyl)-1,5-dimethylpyrrolidine
CID 168881632
4-Fluoro-2-propan-2-yl-6-oxa-2-azabicyclo[3.2.1]octane
CID 169658960

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 170082067) is 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane is COCC(F)CN1C2CCC1COC2.
What is the InChIKey of 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is DHKMTUVFCMPSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-13-5-8(11)4-12-9-2-3-10(12)7-14-6-9/h8-10H,2-7H2,1H3.
What are the key properties of 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane?
8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 203.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluoro-3-methoxypropyl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 170082067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).