2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine

C8H16F2N2 — CID 105437491

IUPAC2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCC(C)N1CC(C(F)(F)CN)C1
InChIInChI=1S/C8H16F2N2/c1-6(2)12-3-7(4-12)8(9,10)5-11/h6-7H,3-5,11H2,1-2H3
InChIKeyIYEAIMIRRAXMDS-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.92
Rot. Bonds3

About 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine

2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine (PubChem CID 105437491) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine
PubChem CID105437491
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine
SMILESCC(C)N1CC(C(F)(F)CN)C1
InChIInChI=1S/C8H16F2N2/c1-6(2)12-3-7(4-12)8(9,10)5-11/h6-7H,3-5,11H2,1-2H3
InChIKeyIYEAIMIRRAXMDS-UHFFFAOYSA-N
XLogP0.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine?
The IUPAC name of 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine (CID 105437491) is 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine.
What is the SMILES notation for 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine?
The canonical SMILES for 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine is CC(C)N1CC(C(F)(F)CN)C1.
What is the InChIKey of 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine?
The InChIKey is IYEAIMIRRAXMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-6(2)12-3-7(4-12)8(9,10)5-11/h6-7H,3-5,11H2,1-2H3.
What are the key properties of 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine?
2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine has a molecular weight of 178.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(1-propan-2-ylazetidin-3-yl)ethanamine is sourced from PubChem (CID 105437491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).