3,3-difluorobutan-2-imine

C4H7F2N — CID 135181750

IUPAC3,3-difluorobutan-2-imine
SMILES[H]/N=C(\C)C(C)(F)F
InChIInChI=1S/C4H7F2N/c1-3(7)4(2,5)6/h7H,1-2H3/b7-3+
InChIKeyUMVLUDJXNJLSJC-XVNBXDOJSA-N
MW107.10 g/mol
LogP1.68
Rot. Bonds1

About 3,3-difluorobutan-2-imine

3,3-difluorobutan-2-imine (PubChem CID 135181750) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is 3,3-difluorobutan-2-imine.

Molecular Properties

Compound Name3,3-difluorobutan-2-imine
PubChem CID135181750
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name3,3-difluorobutan-2-imine
SMILES[H]/N=C(\C)C(C)(F)F
InChIInChI=1S/C4H7F2N/c1-3(7)4(2,5)6/h7H,1-2H3/b7-3+
InChIKeyUMVLUDJXNJLSJC-XVNBXDOJSA-N
XLogP1.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 51.68
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 3,3-difluorobutan-2-imine?
The IUPAC name of 3,3-difluorobutan-2-imine (CID 135181750) is 3,3-difluorobutan-2-imine.
What is the SMILES notation for 3,3-difluorobutan-2-imine?
The canonical SMILES for 3,3-difluorobutan-2-imine is [H]/N=C(\C)C(C)(F)F.
What is the InChIKey of 3,3-difluorobutan-2-imine?
The InChIKey is UMVLUDJXNJLSJC-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H7F2N/c1-3(7)4(2,5)6/h7H,1-2H3/b7-3+.
What are the key properties of 3,3-difluorobutan-2-imine?
3,3-difluorobutan-2-imine has a molecular weight of 107.10 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobutan-2-imine is sourced from PubChem (CID 135181750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).