2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine

C5H9F3N2 — CID 13214202

IUPAC2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=NNCC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-4(2)10-9-3-5(6,7)8/h9H,3H2,1-2H3
InChIKeyQVEHFNNATSWRKI-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.53
Rot. Bonds2

About 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine

2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine (PubChem CID 13214202) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine
PubChem CID13214202
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine
SMILESCC(C)=NNCC(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-4(2)10-9-3-5(6,7)8/h9H,3H2,1-2H3
InChIKeyQVEHFNNATSWRKI-UHFFFAOYSA-N
XLogP1.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine (CID 13214202) is 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine is CC(C)=NNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine?
The InChIKey is QVEHFNNATSWRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-4(2)10-9-3-5(6,7)8/h9H,3H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine?
2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine has a molecular weight of 154.13 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(propan-2-ylideneamino)ethanamine is sourced from PubChem (CID 13214202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).