N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine

C5H9F2N3 — CID 59444346

IUPACN-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine
SMILES[H]/N=C(C(/C)=N\NC)\C(F)F
InChIInChI=1S/C5H9F2N3/c1-3(10-9-2)4(8)5(6)7/h5,8-9H,1-2H3/b8-4-,10-3-
InChIKeyLTHJGTBSUUMCDO-CSNOKCSPSA-N
MW149.14 g/mol
LogP0.87
Rot. Bonds3

About N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine

N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine (PubChem CID 59444346) has the molecular formula C5H9F2N3 and a molecular weight of 149.14 g/mol. Its IUPAC name is N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine
PubChem CID59444346
Molecular FormulaC5H9F2N3
Molecular Weight149.14 g/mol
Exact Mass149.08
IUPAC NameN-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine
SMILES[H]/N=C(C(/C)=N\NC)\C(F)F
InChIInChI=1S/C5H9F2N3/c1-3(10-9-2)4(8)5(6)7/h5,8-9H,1-2H3/b8-4-,10-3-
InChIKeyLTHJGTBSUUMCDO-CSNOKCSPSA-N
XLogP0.87
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine?
The IUPAC name of N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine (CID 59444346) is N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine.
What is the SMILES notation for N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine?
The canonical SMILES for N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine is [H]/N=C(C(/C)=N\NC)\C(F)F.
What is the InChIKey of N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine?
The InChIKey is LTHJGTBSUUMCDO-CSNOKCSPSA-N. The full InChI is InChI=1S/C5H9F2N3/c1-3(10-9-2)4(8)5(6)7/h5,8-9H,1-2H3/b8-4-,10-3-.
What are the key properties of N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine?
N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine has a molecular weight of 149.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4,4-difluoro-3-iminobutan-2-ylidene)amino]methanamine is sourced from PubChem (CID 59444346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).