1-ethoxy-3,3-difluorobutan-2-amine

C6H13F2NO — CID 131094307

IUPAC1-ethoxy-3,3-difluorobutan-2-amine
SMILESCCOCC(N)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-3-10-4-5(9)6(2,7)8/h5H,3-4,9H2,1-2H3
InChIKeyMXFZDQHFNHOXCQ-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.01
Rot. Bonds4

About 1-ethoxy-3,3-difluorobutan-2-amine

1-ethoxy-3,3-difluorobutan-2-amine (PubChem CID 131094307) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 1-ethoxy-3,3-difluorobutan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3,3-difluorobutan-2-amine
PubChem CID131094307
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name1-ethoxy-3,3-difluorobutan-2-amine
SMILESCCOCC(N)C(C)(F)F
InChIInChI=1S/C6H13F2NO/c1-3-10-4-5(9)6(2,7)8/h5H,3-4,9H2,1-2H3
InChIKeyMXFZDQHFNHOXCQ-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3,3-difluorobutan-2-amine?
The IUPAC name of 1-ethoxy-3,3-difluorobutan-2-amine (CID 131094307) is 1-ethoxy-3,3-difluorobutan-2-amine.
What is the SMILES notation for 1-ethoxy-3,3-difluorobutan-2-amine?
The canonical SMILES for 1-ethoxy-3,3-difluorobutan-2-amine is CCOCC(N)C(C)(F)F.
What is the InChIKey of 1-ethoxy-3,3-difluorobutan-2-amine?
The InChIKey is MXFZDQHFNHOXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-3-10-4-5(9)6(2,7)8/h5H,3-4,9H2,1-2H3.
What are the key properties of 1-ethoxy-3,3-difluorobutan-2-amine?
1-ethoxy-3,3-difluorobutan-2-amine has a molecular weight of 153.17 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3-difluorobutan-2-amine is sourced from PubChem (CID 131094307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).