4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane

C8H14FNO — CID 168880748

IUPAC4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane
SMILESCOCC1N(C)C2CC1(F)C2
InChIInChI=1S/C8H14FNO/c1-10-6-3-8(9,4-6)7(10)5-11-2/h6-7H,3-5H2,1-2H3
InChIKeyDVPUNRLBOXFQRU-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.82
Rot. Bonds2

About 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane

4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane (PubChem CID 168880748) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane
PubChem CID168880748
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane
SMILESCOCC1N(C)C2CC1(F)C2
InChIInChI=1S/C8H14FNO/c1-10-6-3-8(9,4-6)7(10)5-11-2/h6-7H,3-5H2,1-2H3
InChIKeyDVPUNRLBOXFQRU-UHFFFAOYSA-N
XLogP0.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 121204099
(2S)-2-(methoxymethyl)-1,3,3-trimethylpyrrolidine
CID 168881213
[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 63971308
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
3-(methoxymethyl)-2-methyl-2-azabicyclo[2.2.1]heptane
CID 168881501
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 121204115
3-(methoxymethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953073
5-(methoxymethyl)-2-propan-2-ylspiro[2.2]pentane
CID 118700099
4-(methoxymethyl)-1,2,6-trimethylpiperidin-4-amine
CID 83907030
(4R)-1-methyl-5-propyl-5-azabicyclo[2.1.1]hexane
CID 163470074

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane (CID 168880748) is 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane is COCC1N(C)C2CC1(F)C2.
What is the InChIKey of 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane?
The InChIKey is DVPUNRLBOXFQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-10-6-3-8(9,4-6)7(10)5-11-2/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane?
4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane has a molecular weight of 159.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(methoxymethyl)-2-methyl-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 168880748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).