3-fluorobutane-1,2-diimine

C4H7FN2 — CID 171535036

IUPAC3-fluorobutane-1,2-diimine
SMILES[H]/N=C(/C=N/[H])C(C)F
InChIInChI=1S/C4H7FN2/c1-3(5)4(7)2-6/h2-3,6-7H,1H3/b6-2+,7-4-
InChIKeyMUXBFYZQJNJSCE-HVAWZRNZSA-N
MW102.11 g/mol
LogP1.01
Rot. Bonds2

About 3-fluorobutane-1,2-diimine

3-fluorobutane-1,2-diimine (PubChem CID 171535036) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is 3-fluorobutane-1,2-diimine.

Molecular Properties

Compound Name3-fluorobutane-1,2-diimine
PubChem CID171535036
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC Name3-fluorobutane-1,2-diimine
SMILES[H]/N=C(/C=N/[H])C(C)F
InChIInChI=1S/C4H7FN2/c1-3(5)4(7)2-6/h2-3,6-7H,1H3/b6-2+,7-4-
InChIKeyMUXBFYZQJNJSCE-HVAWZRNZSA-N
XLogP1.01
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylpentane-1,2-diimine
CID 139890655
(E)-3,3-difluoro-2-methanimidoylprop-1-en-1-amine
CID 170964623
3-amino-1-iminobutan-2-one
CID 174343794
1-N,3-dimethylbutane-1,2-diimine
CID 123957798
5,6-dimethylhept-2-en-4-imine
CID 123523897
3-methyl-2-N-propan-2-ylbutane-1,2-diimine
CID 126601758
(Z)-3-methanimidoyl-4,5,5-trimethylhex-2-enimidoyl bromide
CID 170214312
(Z)-3-chloro-2-fluorobut-2-en-1-imine
CID 130271762
(E)-3,4-dimethyl-2-prop-1-en-2-ylpent-2-en-1-imine
CID 166998459
2-N-propan-2-ylbutane-1,2-diimine
CID 123596480
(E)-4-imino-2-iodo-3-methylbut-2-enimidoyl fluoride
CID 138494852
(Z)-3-methanimidoyl-4,5,5-trimethylhex-2-enimidoyl iodide
CID 170214317

Frequently Asked Questions

What is the IUPAC name of 3-fluorobutane-1,2-diimine?
The IUPAC name of 3-fluorobutane-1,2-diimine (CID 171535036) is 3-fluorobutane-1,2-diimine.
What is the SMILES notation for 3-fluorobutane-1,2-diimine?
The canonical SMILES for 3-fluorobutane-1,2-diimine is [H]/N=C(/C=N/[H])C(C)F.
What is the InChIKey of 3-fluorobutane-1,2-diimine?
The InChIKey is MUXBFYZQJNJSCE-HVAWZRNZSA-N. The full InChI is InChI=1S/C4H7FN2/c1-3(5)4(7)2-6/h2-3,6-7H,1H3/b6-2+,7-4-.
What are the key properties of 3-fluorobutane-1,2-diimine?
3-fluorobutane-1,2-diimine has a molecular weight of 102.11 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorobutane-1,2-diimine is sourced from PubChem (CID 171535036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).