N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine

C5H7F2N — CID 163235557

IUPACN-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine
SMILESC=N/C(=C\C)C(F)F
InChIInChI=1S/C5H7F2N/c1-3-4(8-2)5(6)7/h3,5H,2H2,1H3/b4-3-
InChIKeyAQHIANHXFDGVIM-ARJAWSKDSA-N
MW119.11 g/mol
LogP1.86
Rot. Bonds2

About N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine

N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine (PubChem CID 163235557) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine
PubChem CID163235557
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC NameN-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine
SMILESC=N/C(=C\C)C(F)F
InChIInChI=1S/C5H7F2N/c1-3-4(8-2)5(6)7/h3,5H,2H2,1H3/b4-3-
InChIKeyAQHIANHXFDGVIM-ARJAWSKDSA-N
XLogP1.86
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimine
CID 89399491
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimidoyl iodide
CID 89996575
N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine
CID 91543701
N-prop-1-en-2-ylmethanimidoyl fluoride
CID 123448995
N-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
CID 130242785
N-(3,3-difluoroprop-1-en-2-yl)methanimine
CID 139563853
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 142135069
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
N-[(2Z)-1,1-difluoropenta-2,4-dien-2-yl]methanimine
CID 144753283
N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine
CID 162621100

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine?
The IUPAC name of N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine (CID 163235557) is N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine.
What is the SMILES notation for N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine?
The canonical SMILES for N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine is C=N/C(=C\C)C(F)F.
What is the InChIKey of N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine?
The InChIKey is AQHIANHXFDGVIM-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H7F2N/c1-3-4(8-2)5(6)7/h3,5H,2H2,1H3/b4-3-.
What are the key properties of N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine?
N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine has a molecular weight of 119.11 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,1-difluorobut-2-en-2-yl]methanimine is sourced from PubChem (CID 163235557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).