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

C10H17F3N2 — CID 116680184

IUPACN-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCC(CN(C)CCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H17F3N2/c1-8(9-5-14-6-9)7-15(2)4-3-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyAFSSCVZJGGYQDJ-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds4

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

N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine (PubChem CID 116680184) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine
PubChem CID116680184
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine
SMILESCC(CN(C)CCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H17F3N2/c1-8(9-5-14-6-9)7-15(2)4-3-10(11,12)13/h14H,3-7H2,1-2H3
InChIKeyAFSSCVZJGGYQDJ-UHFFFAOYSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
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 N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine (CID 116680184) is N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine is CC(CN(C)CCC(F)(F)F)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
The InChIKey is AFSSCVZJGGYQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-8(9-5-14-6-9)7-15(2)4-3-10(11,12)13/h14H,3-7H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine is sourced from PubChem (CID 116680184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).