N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide

C6H7F3N2 — CID 130242785

IUPACN-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
SMILESC=N/C=N/C(=C\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-4-10-2/h3-4H,2H2,1H3/b5-3-,11-4+
InChIKeyPOMVXRXGSRWSCV-DVJFJSKXSA-N
MW164.13 g/mol
LogP2.18
Rot. Bonds2

About N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide

N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide (PubChem CID 130242785) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
PubChem CID130242785
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
SMILESC=N/C=N/C(=C\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-4-10-2/h3-4H,2H2,1H3/b5-3-,11-4+
InChIKeyPOMVXRXGSRWSCV-DVJFJSKXSA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide?
The IUPAC name of N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide (CID 130242785) is N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide.
What is the SMILES notation for N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide?
The canonical SMILES for N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide is C=N/C=N/C(=C\C)C(F)(F)F.
What is the InChIKey of N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide?
The InChIKey is POMVXRXGSRWSCV-DVJFJSKXSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-3-5(6(7,8)9)11-4-10-2/h3-4H,2H2,1H3/b5-3-,11-4+.
What are the key properties of N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide?
N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide has a molecular weight of 164.13 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide is sourced from PubChem (CID 130242785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).