2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine

C8H18FNO — CID 112566889

IUPAC2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine
SMILESCCOCC(F)(CN)C(C)C
InChIInChI=1S/C8H18FNO/c1-4-11-6-8(9,5-10)7(2)3/h7H,4-6,10H2,1-3H3
InChIKeyNDVUDBSGCKKTOA-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.35
Rot. Bonds5

About 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine

2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine (PubChem CID 112566889) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine
PubChem CID112566889
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine
SMILESCCOCC(F)(CN)C(C)C
InChIInChI=1S/C8H18FNO/c1-4-11-6-8(9,5-10)7(2)3/h7H,4-6,10H2,1-3H3
InChIKeyNDVUDBSGCKKTOA-UHFFFAOYSA-N
XLogP1.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine (CID 112566889) is 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine is CCOCC(F)(CN)C(C)C.
What is the InChIKey of 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine?
The InChIKey is NDVUDBSGCKKTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-4-11-6-8(9,5-10)7(2)3/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine?
2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 112566889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).