2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine

C8H13F3N2 — CID 154985899

IUPAC2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine
SMILESCC/C=C(\N=C(/C)CN)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-4-7(8(9,10)11)13-6(2)5-12/h4H,3,5,12H2,1-2H3/b7-4-,13-6+
InChIKeyWFPZLHGZQVOLGJ-CTIXMVKPSA-N
MW194.20 g/mol
LogP2.26
Rot. Bonds3

About 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine

2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine (PubChem CID 154985899) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine.

Molecular Properties

Compound Name2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine
PubChem CID154985899
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine
SMILESCC/C=C(\N=C(/C)CN)C(F)(F)F
InChIInChI=1S/C8H13F3N2/c1-3-4-7(8(9,10)11)13-6(2)5-12/h4H,3,5,12H2,1-2H3/b7-4-,13-6+
InChIKeyWFPZLHGZQVOLGJ-CTIXMVKPSA-N
XLogP2.26
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine?
The IUPAC name of 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine (CID 154985899) is 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine.
What is the SMILES notation for 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine?
The canonical SMILES for 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine is CC/C=C(\N=C(/C)CN)C(F)(F)F.
What is the InChIKey of 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine?
The InChIKey is WFPZLHGZQVOLGJ-CTIXMVKPSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-3-4-7(8(9,10)11)13-6(2)5-12/h4H,3,5,12H2,1-2H3/b7-4-,13-6+.
What are the key properties of 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine?
2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine has a molecular weight of 194.20 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine is sourced from PubChem (CID 154985899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).