2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine

C9H20FNO — CID 112566578

IUPAC2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCCOCC(F)(CN)C(C)(C)C
InChIInChI=1S/C9H20FNO/c1-5-12-7-9(10,6-11)8(2,3)4/h5-7,11H2,1-4H3
InChIKeyWCQDQVCXBPVVLK-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.74
Rot. Bonds4

About 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine

2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine (PubChem CID 112566578) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine
PubChem CID112566578
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine
SMILESCCOCC(F)(CN)C(C)(C)C
InChIInChI=1S/C9H20FNO/c1-5-12-7-9(10,6-11)8(2,3)4/h5-7,11H2,1-4H3
InChIKeyWCQDQVCXBPVVLK-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.74
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-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine (CID 112566578) is 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine is CCOCC(F)(CN)C(C)(C)C.
What is the InChIKey of 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine?
The InChIKey is WCQDQVCXBPVVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-5-12-7-9(10,6-11)8(2,3)4/h5-7,11H2,1-4H3.
What are the key properties of 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine?
2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-2-fluoro-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 112566578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).