2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine

C8H16F2N2 — CID 84656475

IUPAC2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine
SMILESCC(F)(F)CN1CC(CCN)C1
InChIInChI=1S/C8H16F2N2/c1-8(9,10)6-12-4-7(5-12)2-3-11/h7H,2-6,11H2,1H3
InChIKeyCZGSPCHAZYTJIH-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.92
Rot. Bonds4

About 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine

2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine (PubChem CID 84656475) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine
PubChem CID84656475
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine
SMILESCC(F)(F)CN1CC(CCN)C1
InChIInChI=1S/C8H16F2N2/c1-8(9,10)6-12-4-7(5-12)2-3-11/h7H,2-6,11H2,1H3
InChIKeyCZGSPCHAZYTJIH-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine (CID 84656475) is 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine is CC(F)(F)CN1CC(CCN)C1.
What is the InChIKey of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine?
The InChIKey is CZGSPCHAZYTJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-8(9,10)6-12-4-7(5-12)2-3-11/h7H,2-6,11H2,1H3.
What are the key properties of 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine?
2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine has a molecular weight of 178.23 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoropropyl)azetidin-3-yl]ethanamine is sourced from PubChem (CID 84656475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).