2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide

C6H7F3N2 — CID 144826784

IUPAC2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC=N/C(=N\C=C/C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-4-11-5(10-2)6(7,8)9/h3-4H,2H2,1H3/b4-3-,11-5-
InChIKeyDMEOOXBEPDMNDQ-RUTRJIIFSA-N
MW164.13 g/mol
LogP2.18
Rot. Bonds1

About 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide

2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide (PubChem CID 144826784) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
PubChem CID144826784
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
SMILESC=N/C(=N\C=C/C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-4-11-5(10-2)6(7,8)9/h3-4H,2H2,1H3/b4-3-,11-5-
InChIKeyDMEOOXBEPDMNDQ-RUTRJIIFSA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;prop-1-ene;2,2,2-trifluoro-N-methylidene-N'-(2-methylprop-1-enyl)ethanimidamide
CID 145136554
N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide
CID 163299053
N-ethylidene-N'-[(Z)-prop-1-enyl]ethanimidamide;fluoromethane
CID 144488978

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide (CID 144826784) is 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide is C=N/C(=N\C=C/C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
The InChIKey is DMEOOXBEPDMNDQ-RUTRJIIFSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-3-4-11-5(10-2)6(7,8)9/h3-4H,2H2,1H3/b4-3-,11-5-.
What are the key properties of 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide?
2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide has a molecular weight of 164.13 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide is sourced from PubChem (CID 144826784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).