3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

C9H15F2NO — CID 178012487

IUPAC3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCOCC1(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO/c1-13-7-8(2-3-8)4-12-5-9(10,11)6-12/h2-7H2,1H3
InChIKeyLQZPRBYIFRYJID-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.36
Rot. Bonds4

About 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine

3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (PubChem CID 178012487) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
PubChem CID178012487
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine
SMILESCOCC1(CN2CC(F)(F)C2)CC1
InChIInChI=1S/C9H15F2NO/c1-13-7-8(2-3-8)4-12-5-9(10,11)6-12/h2-7H2,1H3
InChIKeyLQZPRBYIFRYJID-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Azetidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 166533231
ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
CID 166534171
(2R)-2-fluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylbutan-1-amine
CID 167216525
1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
CID 169145450
ethane;1-[1-(ethoxymethyl)-2,2-difluorocyclopropyl]-N,N-dimethylmethanamine
CID 169146071
3,3-Difluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 169658905
3-Fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidine
CID 169658913
1-[(1R)-2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 169852617
[1-[(3,3-Difluoroazetidin-1-yl)methyl]cyclopropyl]methanol
CID 169901466
3,3-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]-N-methylcyclobutan-1-amine
CID 169903319
1-[2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine
CID 170601520
1-[2,2-difluoro-1-(methoxymethyl)cyclopropyl]-N,N-dimethylmethanamine;ethane
CID 172328720

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The IUPAC name of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine (CID 178012487) is 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is COCC1(CN2CC(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
The InChIKey is LQZPRBYIFRYJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-13-7-8(2-3-8)4-12-5-9(10,11)6-12/h2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine?
3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine has a molecular weight of 191.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]azetidine is sourced from PubChem (CID 178012487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).