2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine

C8H14F2N2 — CID 116680309

IUPAC2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine
SMILESCC(CNCC(F)F)=C1CNC1
InChIInChI=1S/C8H14F2N2/c1-6(7-3-12-4-7)2-11-5-8(9)10/h8,11-12H,2-5H2,1H3
InChIKeyQAFOFDUXANMLQW-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.76
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine

2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine (PubChem CID 116680309) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine
PubChem CID116680309
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine
SMILESCC(CNCC(F)F)=C1CNC1
InChIInChI=1S/C8H14F2N2/c1-6(7-3-12-4-7)2-11-5-8(9)10/h8,11-12H,2-5H2,1H3
InChIKeyQAFOFDUXANMLQW-UHFFFAOYSA-N
XLogP0.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine (CID 116680309) is 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine is CC(CNCC(F)F)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine?
The InChIKey is QAFOFDUXANMLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-6(7-3-12-4-7)2-11-5-8(9)10/h8,11-12H,2-5H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine has a molecular weight of 176.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine is sourced from PubChem (CID 116680309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).