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

C7H16FNO — CID 112566833

IUPAC2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine
SMILESCOCC(F)(CN)C(C)C
InChIInChI=1S/C7H16FNO/c1-6(2)7(8,4-9)5-10-3/h6H,4-5,9H2,1-3H3
InChIKeyNACSHTSPJLIOJP-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.96
Rot. Bonds4

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

2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine (PubChem CID 112566833) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine
PubChem CID112566833
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine
SMILESCOCC(F)(CN)C(C)C
InChIInChI=1S/C7H16FNO/c1-6(2)7(8,4-9)5-10-3/h6H,4-5,9H2,1-3H3
InChIKeyNACSHTSPJLIOJP-UHFFFAOYSA-N
XLogP0.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine (CID 112566833) is 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine is COCC(F)(CN)C(C)C.
What is the InChIKey of 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine?
The InChIKey is NACSHTSPJLIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-6(2)7(8,4-9)5-10-3/h6H,4-5,9H2,1-3H3.
What are the key properties of 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine?
2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(methoxymethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 112566833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).