N-(3,3-difluoroprop-1-en-2-yl)methanimine

C4H5F2N — CID 139563853

IUPACN-(3,3-difluoroprop-1-en-2-yl)methanimine
SMILESC=NC(=C)C(F)F
InChIInChI=1S/C4H5F2N/c1-3(7-2)4(5)6/h4H,1-2H2
InChIKeyIRAPDKYYYSFLJD-UHFFFAOYSA-N
MW105.09 g/mol
LogP1.47
Rot. Bonds2

About N-(3,3-difluoroprop-1-en-2-yl)methanimine

N-(3,3-difluoroprop-1-en-2-yl)methanimine (PubChem CID 139563853) has the molecular formula C4H5F2N and a molecular weight of 105.09 g/mol. Its IUPAC name is N-(3,3-difluoroprop-1-en-2-yl)methanimine.

Molecular Properties

Compound NameN-(3,3-difluoroprop-1-en-2-yl)methanimine
PubChem CID139563853
Molecular FormulaC4H5F2N
Molecular Weight105.09 g/mol
Exact Mass105.04
IUPAC NameN-(3,3-difluoroprop-1-en-2-yl)methanimine
SMILESC=NC(=C)C(F)F
InChIInChI=1S/C4H5F2N/c1-3(7-2)4(5)6/h4H,1-2H2
InChIKeyIRAPDKYYYSFLJD-UHFFFAOYSA-N
XLogP1.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.09
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-(3,3-difluoroprop-1-en-2-yl)methanimine?
The IUPAC name of N-(3,3-difluoroprop-1-en-2-yl)methanimine (CID 139563853) is N-(3,3-difluoroprop-1-en-2-yl)methanimine.
What is the SMILES notation for N-(3,3-difluoroprop-1-en-2-yl)methanimine?
The canonical SMILES for N-(3,3-difluoroprop-1-en-2-yl)methanimine is C=NC(=C)C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-1-en-2-yl)methanimine?
The InChIKey is IRAPDKYYYSFLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2N/c1-3(7-2)4(5)6/h4H,1-2H2.
What are the key properties of N-(3,3-difluoroprop-1-en-2-yl)methanimine?
N-(3,3-difluoroprop-1-en-2-yl)methanimine has a molecular weight of 105.09 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoroprop-1-en-2-yl)methanimine is sourced from PubChem (CID 139563853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).