2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane

C9H19F2NO — CID 162764037

IUPAC2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane
SMILESCC.CN1CCC1COC(C)(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-7(8,9)11-5-6-3-4-10(6)2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGLIZEWXNUAPBDE-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.35
Rot. Bonds3

About 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane

2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane (PubChem CID 162764037) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane.

Molecular Properties

Compound Name2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane
PubChem CID162764037
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane
SMILESCC.CN1CCC1COC(C)(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-7(8,9)11-5-6-3-4-10(6)2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyGLIZEWXNUAPBDE-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-methylbutan-1-amine
CID 117937197
3-(1,1-Difluoroethoxy)-1-propan-2-ylazetidine
CID 122532893
4,4,4-trifluoro-N-(1-methoxypropan-2-yl)-N-methylbutan-1-amine
CID 130242757
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]-N-propan-2-ylbutan-1-amine
CID 130409561
1-(2-Fluoroethyl)-2-(methoxymethyl)azetidine
CID 130987507
1-(2,2-Difluoroethyl)-2-(methoxymethyl)azetidine
CID 131229680
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)azetidine
CID 137419189
1-Propan-2-yl-3-propan-2-yloxy-3-(trifluoromethyl)azetidine
CID 137471188
3-(Difluoromethyl)-1-propan-2-yl-3-propan-2-yloxyazetidine
CID 140959012
3-Ethoxy-1-propan-2-yl-3-(trifluoromethyl)azetidine
CID 146303101
1-Propan-2-yl-3-(2,2,2-trifluoroethoxy)azetidine
CID 156546513

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane?
The IUPAC name of 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane (CID 162764037) is 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane.
What is the SMILES notation for 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane?
The canonical SMILES for 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane is CC.CN1CCC1COC(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane?
The InChIKey is GLIZEWXNUAPBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-7(8,9)11-5-6-3-4-10(6)2;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane?
2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane has a molecular weight of 195.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethoxymethyl)-1-methylazetidine;ethane is sourced from PubChem (CID 162764037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).