3-ethoxy-2,2-difluoropropan-1-amine

C5H11F2NO — CID 105428008

IUPAC3-ethoxy-2,2-difluoropropan-1-amine
SMILESCCOCC(F)(F)CN
InChIInChI=1S/C5H11F2NO/c1-2-9-4-5(6,7)3-8/h2-4,8H2,1H3
InChIKeyAOSTXCFPOHKEGJ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.62
Rot. Bonds4

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

3-ethoxy-2,2-difluoropropan-1-amine (PubChem CID 105428008) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-ethoxy-2,2-difluoropropan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-difluoropropan-1-amine
PubChem CID105428008
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name3-ethoxy-2,2-difluoropropan-1-amine
SMILESCCOCC(F)(F)CN
InChIInChI=1S/C5H11F2NO/c1-2-9-4-5(6,7)3-8/h2-4,8H2,1H3
InChIKeyAOSTXCFPOHKEGJ-UHFFFAOYSA-N
XLogP0.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-ethoxy-2,2-difluoropropan-1-amine?
The IUPAC name of 3-ethoxy-2,2-difluoropropan-1-amine (CID 105428008) is 3-ethoxy-2,2-difluoropropan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-difluoropropan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-difluoropropan-1-amine is CCOCC(F)(F)CN.
What is the InChIKey of 3-ethoxy-2,2-difluoropropan-1-amine?
The InChIKey is AOSTXCFPOHKEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-2-9-4-5(6,7)3-8/h2-4,8H2,1H3.
What are the key properties of 3-ethoxy-2,2-difluoropropan-1-amine?
3-ethoxy-2,2-difluoropropan-1-amine has a molecular weight of 139.15 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-difluoropropan-1-amine is sourced from PubChem (CID 105428008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).