2-(ethoxymethyl)-2-fluorobutan-1-amine

C7H16FNO — CID 112566043

IUPAC2-(ethoxymethyl)-2-fluorobutan-1-amine
SMILESCCOCC(F)(CC)CN
InChIInChI=1S/C7H16FNO/c1-3-7(8,5-9)6-10-4-2/h3-6,9H2,1-2H3
InChIKeyCWELYLKMMXWOTJ-UHFFFAOYSA-N
MW149.21 g/mol
LogP1.10
Rot. Bonds5

About 2-(ethoxymethyl)-2-fluorobutan-1-amine

2-(ethoxymethyl)-2-fluorobutan-1-amine (PubChem CID 112566043) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-fluorobutan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-fluorobutan-1-amine
PubChem CID112566043
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name2-(ethoxymethyl)-2-fluorobutan-1-amine
SMILESCCOCC(F)(CC)CN
InChIInChI=1S/C7H16FNO/c1-3-7(8,5-9)6-10-4-2/h3-6,9H2,1-2H3
InChIKeyCWELYLKMMXWOTJ-UHFFFAOYSA-N
XLogP1.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-fluorobutan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-2-fluorobutan-1-amine (CID 112566043) is 2-(ethoxymethyl)-2-fluorobutan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-2-fluorobutan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-2-fluorobutan-1-amine is CCOCC(F)(CC)CN.
What is the InChIKey of 2-(ethoxymethyl)-2-fluorobutan-1-amine?
The InChIKey is CWELYLKMMXWOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-3-7(8,5-9)6-10-4-2/h3-6,9H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-2-fluorobutan-1-amine?
2-(ethoxymethyl)-2-fluorobutan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-fluorobutan-1-amine is sourced from PubChem (CID 112566043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).