1,1-difluorobutane-2,3-diimine

C4H6F2N2 — CID 166121793

IUPAC1,1-difluorobutane-2,3-diimine
SMILES[H]/N=C(C)/C(=N\[H])C(F)F
InChIInChI=1S/C4H6F2N2/c1-2(7)3(8)4(5)6/h4,7-8H,1H3/b7-2+,8-3+
InChIKeyWUMKDGFFYIRBOY-ZESFLVPWSA-N
MW120.10 g/mol
LogP1.31
Rot. Bonds2

About 1,1-difluorobutane-2,3-diimine

1,1-difluorobutane-2,3-diimine (PubChem CID 166121793) has the molecular formula C4H6F2N2 and a molecular weight of 120.10 g/mol. Its IUPAC name is 1,1-difluorobutane-2,3-diimine.

Molecular Properties

Compound Name1,1-difluorobutane-2,3-diimine
PubChem CID166121793
Molecular FormulaC4H6F2N2
Molecular Weight120.10 g/mol
Exact Mass120.05
IUPAC Name1,1-difluorobutane-2,3-diimine
SMILES[H]/N=C(C)/C(=N\[H])C(F)F
InChIInChI=1S/C4H6F2N2/c1-2(7)3(8)4(5)6/h4,7-8H,1H3/b7-2+,8-3+
InChIKeyWUMKDGFFYIRBOY-ZESFLVPWSA-N
XLogP1.31
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluorobutane-2,3-diimine?
The IUPAC name of 1,1-difluorobutane-2,3-diimine (CID 166121793) is 1,1-difluorobutane-2,3-diimine.
What is the SMILES notation for 1,1-difluorobutane-2,3-diimine?
The canonical SMILES for 1,1-difluorobutane-2,3-diimine is [H]/N=C(C)/C(=N\[H])C(F)F.
What is the InChIKey of 1,1-difluorobutane-2,3-diimine?
The InChIKey is WUMKDGFFYIRBOY-ZESFLVPWSA-N. The full InChI is InChI=1S/C4H6F2N2/c1-2(7)3(8)4(5)6/h4,7-8H,1H3/b7-2+,8-3+.
What are the key properties of 1,1-difluorobutane-2,3-diimine?
1,1-difluorobutane-2,3-diimine has a molecular weight of 120.10 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorobutane-2,3-diimine is sourced from PubChem (CID 166121793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).