N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine

C9H14F4N2 — CID 106293760

IUPACN-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(CNCC(F)(F)C(F)F)=C1CNC1
InChIInChI=1S/C9H14F4N2/c1-6(7-3-14-4-7)2-15-5-9(12,13)8(10)11/h8,14-15H,2-5H2,1H3
InChIKeyDCZBUTWEGRUSGE-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.40
Rot. Bonds5

About N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine (PubChem CID 106293760) has the molecular formula C9H14F4N2 and a molecular weight of 226.22 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine
PubChem CID106293760
Molecular FormulaC9H14F4N2
Molecular Weight226.22 g/mol
Exact Mass226.11
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine
SMILESCC(CNCC(F)(F)C(F)F)=C1CNC1
InChIInChI=1S/C9H14F4N2/c1-6(7-3-14-4-7)2-15-5-9(12,13)8(10)11/h8,14-15H,2-5H2,1H3
InChIKeyDCZBUTWEGRUSGE-UHFFFAOYSA-N
XLogP1.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine (CID 106293760) is N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine is CC(CNCC(F)(F)C(F)F)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
The InChIKey is DCZBUTWEGRUSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2/c1-6(7-3-14-4-7)2-15-5-9(12,13)8(10)11/h8,14-15H,2-5H2,1H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine has a molecular weight of 226.22 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine is sourced from PubChem (CID 106293760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).