1,3-difluoropropan-2-imine

C3H5F2N — CID 20530616

IUPAC1,3-difluoropropan-2-imine
SMILES[H]N=C(CF)CF
InChIInChI=1S/C3H5F2N/c4-1-3(6)2-5/h6H,1-2H2
InChIKeyNDQOQJNWVSQAQC-UHFFFAOYSA-N
MW93.08 g/mol
LogP0.95
Rot. Bonds2

About 1,3-difluoropropan-2-imine

1,3-difluoropropan-2-imine (PubChem CID 20530616) has the molecular formula C3H5F2N and a molecular weight of 93.08 g/mol. Its IUPAC name is 1,3-difluoropropan-2-imine.

Molecular Properties

Compound Name1,3-difluoropropan-2-imine
PubChem CID20530616
Molecular FormulaC3H5F2N
Molecular Weight93.08 g/mol
Exact Mass93.04
IUPAC Name1,3-difluoropropan-2-imine
SMILES[H]N=C(CF)CF
InChIInChI=1S/C3H5F2N/c4-1-3(6)2-5/h6H,1-2H2
InChIKeyNDQOQJNWVSQAQC-UHFFFAOYSA-N
XLogP0.95
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.08
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 1,3-difluoropropan-2-imine?
The IUPAC name of 1,3-difluoropropan-2-imine (CID 20530616) is 1,3-difluoropropan-2-imine.
What is the SMILES notation for 1,3-difluoropropan-2-imine?
The canonical SMILES for 1,3-difluoropropan-2-imine is [H]N=C(CF)CF.
What is the InChIKey of 1,3-difluoropropan-2-imine?
The InChIKey is NDQOQJNWVSQAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F2N/c4-1-3(6)2-5/h6H,1-2H2.
What are the key properties of 1,3-difluoropropan-2-imine?
1,3-difluoropropan-2-imine has a molecular weight of 93.08 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoropropan-2-imine is sourced from PubChem (CID 20530616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).