1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine

C7H10F2N2 — CID 146506029

IUPAC1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
SMILESC=N/C(C)=C\N=C(/C)C(F)F
InChIInChI=1S/C7H10F2N2/c1-5(10-3)4-11-6(2)7(8)9/h4,7H,3H2,1-2H3/b5-4-,11-6+
InChIKeyBUOLDEVHRYIJLP-UMEJXRAUSA-N
MW160.17 g/mol
LogP2.27
Rot. Bonds3

About 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine

1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine (PubChem CID 146506029) has the molecular formula C7H10F2N2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
PubChem CID146506029
Molecular FormulaC7H10F2N2
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
SMILESC=N/C(C)=C\N=C(/C)C(F)F
InChIInChI=1S/C7H10F2N2/c1-5(10-3)4-11-6(2)7(8)9/h4,7H,3H2,1-2H3/b5-4-,11-6+
InChIKeyBUOLDEVHRYIJLP-UMEJXRAUSA-N
XLogP2.27
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
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 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
The IUPAC name of 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine (CID 146506029) is 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine.
What is the SMILES notation for 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
The canonical SMILES for 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine is C=N/C(C)=C\N=C(/C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
The InChIKey is BUOLDEVHRYIJLP-UMEJXRAUSA-N. The full InChI is InChI=1S/C7H10F2N2/c1-5(10-3)4-11-6(2)7(8)9/h4,7H,3H2,1-2H3/b5-4-,11-6+.
What are the key properties of 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine?
1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine has a molecular weight of 160.17 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine is sourced from PubChem (CID 146506029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).