3,3-difluoro-4-methoxybutan-2-amine

C5H11F2NO — CID 57169440

IUPAC3,3-difluoro-4-methoxybutan-2-amine
SMILESCOCC(F)(F)C(C)N
InChIInChI=1S/C5H11F2NO/c1-4(8)5(6,7)3-9-2/h4H,3,8H2,1-2H3
InChIKeyYILKOZBSTQBEMW-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.62
Rot. Bonds3

About 3,3-difluoro-4-methoxybutan-2-amine

3,3-difluoro-4-methoxybutan-2-amine (PubChem CID 57169440) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 3,3-difluoro-4-methoxybutan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-4-methoxybutan-2-amine
PubChem CID57169440
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name3,3-difluoro-4-methoxybutan-2-amine
SMILESCOCC(F)(F)C(C)N
InChIInChI=1S/C5H11F2NO/c1-4(8)5(6,7)3-9-2/h4H,3,8H2,1-2H3
InChIKeyYILKOZBSTQBEMW-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methoxybutan-2-amine?
The IUPAC name of 3,3-difluoro-4-methoxybutan-2-amine (CID 57169440) is 3,3-difluoro-4-methoxybutan-2-amine.
What is the SMILES notation for 3,3-difluoro-4-methoxybutan-2-amine?
The canonical SMILES for 3,3-difluoro-4-methoxybutan-2-amine is COCC(F)(F)C(C)N.
What is the InChIKey of 3,3-difluoro-4-methoxybutan-2-amine?
The InChIKey is YILKOZBSTQBEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-4(8)5(6,7)3-9-2/h4H,3,8H2,1-2H3.
What are the key properties of 3,3-difluoro-4-methoxybutan-2-amine?
3,3-difluoro-4-methoxybutan-2-amine has a molecular weight of 139.15 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methoxybutan-2-amine is sourced from PubChem (CID 57169440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).