3-(ethoxymethyl)-3-fluorocyclobutan-1-amine

C7H14FNO — CID 112564075

IUPAC3-(ethoxymethyl)-3-fluorocyclobutan-1-amine
SMILESCCOCC1(F)CC(N)C1
InChIInChI=1S/C7H14FNO/c1-2-10-5-7(8)3-6(9)4-7/h6H,2-5,9H2,1H3
InChIKeyYEJOUICZLROAIK-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.85
Rot. Bonds3

About 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine

3-(ethoxymethyl)-3-fluorocyclobutan-1-amine (PubChem CID 112564075) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(ethoxymethyl)-3-fluorocyclobutan-1-amine
PubChem CID112564075
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-(ethoxymethyl)-3-fluorocyclobutan-1-amine
SMILESCCOCC1(F)CC(N)C1
InChIInChI=1S/C7H14FNO/c1-2-10-5-7(8)3-6(9)4-7/h6H,2-5,9H2,1H3
InChIKeyYEJOUICZLROAIK-UHFFFAOYSA-N
XLogP0.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine (CID 112564075) is 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine is CCOCC1(F)CC(N)C1.
What is the InChIKey of 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine?
The InChIKey is YEJOUICZLROAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-10-5-7(8)3-6(9)4-7/h6H,2-5,9H2,1H3.
What are the key properties of 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine?
3-(ethoxymethyl)-3-fluorocyclobutan-1-amine has a molecular weight of 147.19 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112564075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).