3-fluoro-2-methoxy-3-methylbutan-1-amine

C6H14FNO — CID 84731109

IUPAC3-fluoro-2-methoxy-3-methylbutan-1-amine
SMILESCOC(CN)C(C)(C)F
InChIInChI=1S/C6H14FNO/c1-6(2,7)5(4-8)9-3/h5H,4,8H2,1-3H3
InChIKeyIGWVPXROMDZXDB-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.71
Rot. Bonds3

About 3-fluoro-2-methoxy-3-methylbutan-1-amine

3-fluoro-2-methoxy-3-methylbutan-1-amine (PubChem CID 84731109) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-fluoro-2-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-methoxy-3-methylbutan-1-amine
PubChem CID84731109
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-fluoro-2-methoxy-3-methylbutan-1-amine
SMILESCOC(CN)C(C)(C)F
InChIInChI=1S/C6H14FNO/c1-6(2,7)5(4-8)9-3/h5H,4,8H2,1-3H3
InChIKeyIGWVPXROMDZXDB-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methoxy-3-methylbutan-1-amine?
The IUPAC name of 3-fluoro-2-methoxy-3-methylbutan-1-amine (CID 84731109) is 3-fluoro-2-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 3-fluoro-2-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 3-fluoro-2-methoxy-3-methylbutan-1-amine is COC(CN)C(C)(C)F.
What is the InChIKey of 3-fluoro-2-methoxy-3-methylbutan-1-amine?
The InChIKey is IGWVPXROMDZXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-6(2,7)5(4-8)9-3/h5H,4,8H2,1-3H3.
What are the key properties of 3-fluoro-2-methoxy-3-methylbutan-1-amine?
3-fluoro-2-methoxy-3-methylbutan-1-amine has a molecular weight of 135.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 84731109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).