3-amino-N,2-dimethylbut-2-enimidoyl fluoride

C6H11FN2 — CID 147965429

IUPAC3-amino-N,2-dimethylbut-2-enimidoyl fluoride
SMILESC/N=C(\F)C(C)=C(C)N
InChIInChI=1S/C6H11FN2/c1-4(5(2)8)6(7)9-3/h8H2,1-3H3/b5-4?,9-6-
InChIKeyCIUDLVTTXJTGHY-CSZDEEEVSA-N
MW130.17 g/mol
LogP1.24
Rot. Bonds1

About 3-amino-N,2-dimethylbut-2-enimidoyl fluoride

3-amino-N,2-dimethylbut-2-enimidoyl fluoride (PubChem CID 147965429) has the molecular formula C6H11FN2 and a molecular weight of 130.17 g/mol. Its IUPAC name is 3-amino-N,2-dimethylbut-2-enimidoyl fluoride.

Molecular Properties

Compound Name3-amino-N,2-dimethylbut-2-enimidoyl fluoride
PubChem CID147965429
Molecular FormulaC6H11FN2
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name3-amino-N,2-dimethylbut-2-enimidoyl fluoride
SMILESC/N=C(\F)C(C)=C(C)N
InChIInChI=1S/C6H11FN2/c1-4(5(2)8)6(7)9-3/h8H2,1-3H3/b5-4?,9-6-
InChIKeyCIUDLVTTXJTGHY-CSZDEEEVSA-N
XLogP1.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-amino-N,2-dimethylbut-2-enimidoyl fluoride?
The IUPAC name of 3-amino-N,2-dimethylbut-2-enimidoyl fluoride (CID 147965429) is 3-amino-N,2-dimethylbut-2-enimidoyl fluoride.
What is the SMILES notation for 3-amino-N,2-dimethylbut-2-enimidoyl fluoride?
The canonical SMILES for 3-amino-N,2-dimethylbut-2-enimidoyl fluoride is C/N=C(\F)C(C)=C(C)N.
What is the InChIKey of 3-amino-N,2-dimethylbut-2-enimidoyl fluoride?
The InChIKey is CIUDLVTTXJTGHY-CSZDEEEVSA-N. The full InChI is InChI=1S/C6H11FN2/c1-4(5(2)8)6(7)9-3/h8H2,1-3H3/b5-4?,9-6-.
What are the key properties of 3-amino-N,2-dimethylbut-2-enimidoyl fluoride?
3-amino-N,2-dimethylbut-2-enimidoyl fluoride has a molecular weight of 130.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,2-dimethylbut-2-enimidoyl fluoride is sourced from PubChem (CID 147965429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).