2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide

C8H14F3N3 — CID 123578258

IUPAC2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide
SMILES[H]/N=C(/N(CCNC)C(=C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-6(2)14(5-4-13-3)7(12)8(9,10)11/h12-13H,1,4-5H2,2-3H3/b12-7+
InChIKeyYZXMRLGOXTXUBL-KPKJPENVSA-N
MW209.21 g/mol
LogP1.58
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide

2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide (PubChem CID 123578258) has the molecular formula C8H14F3N3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide
PubChem CID123578258
Molecular FormulaC8H14F3N3
Molecular Weight209.21 g/mol
Exact Mass209.11
IUPAC Name2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide
SMILES[H]/N=C(/N(CCNC)C(=C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N3/c1-6(2)14(5-4-13-3)7(12)8(9,10)11/h12-13H,1,4-5H2,2-3H3/b12-7+
InChIKeyYZXMRLGOXTXUBL-KPKJPENVSA-N
XLogP1.58
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide (CID 123578258) is 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide is [H]/N=C(/N(CCNC)C(=C)C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide?
The InChIKey is YZXMRLGOXTXUBL-KPKJPENVSA-N. The full InChI is InChI=1S/C8H14F3N3/c1-6(2)14(5-4-13-3)7(12)8(9,10)11/h12-13H,1,4-5H2,2-3H3/b12-7+.
What are the key properties of 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide?
2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide has a molecular weight of 209.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(methylamino)ethyl]-N-prop-1-en-2-ylethanimidamide is sourced from PubChem (CID 123578258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).