N,3-dimethylbut-2-enimidoyl fluoride

C6H10FN — CID 169133098

IUPACN,3-dimethylbut-2-enimidoyl fluoride
SMILESC/N=C(\F)C=C(C)C
InChIInChI=1S/C6H10FN/c1-5(2)4-6(7)8-3/h4H,1-3H3/b8-6-
InChIKeyDJFVMBLKDCNNQQ-VURMDHGXSA-N
MW115.15 g/mol
LogP1.95
Rot. Bonds1

About N,3-dimethylbut-2-enimidoyl fluoride

N,3-dimethylbut-2-enimidoyl fluoride (PubChem CID 169133098) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is N,3-dimethylbut-2-enimidoyl fluoride.

Molecular Properties

Compound NameN,3-dimethylbut-2-enimidoyl fluoride
PubChem CID169133098
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC NameN,3-dimethylbut-2-enimidoyl fluoride
SMILESC/N=C(\F)C=C(C)C
InChIInChI=1S/C6H10FN/c1-5(2)4-6(7)8-3/h4H,1-3H3/b8-6-
InChIKeyDJFVMBLKDCNNQQ-VURMDHGXSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methylbut-2-enimidoyl fluoride
CID 123871369
(Z)-N-ethylbut-2-enimidoyl fluoride
CID 134492872
(Z)-N-methylbut-2-enimidoyl fluoride
CID 143694284
N-ethyl-3-methylbut-2-enimidoyl fluoride
CID 147374438
(2Z)-N,3-dimethylpenta-2,4-dienimidoyl fluoride
CID 155735311
(E)-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
CID 162615515

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbut-2-enimidoyl fluoride?
The IUPAC name of N,3-dimethylbut-2-enimidoyl fluoride (CID 169133098) is N,3-dimethylbut-2-enimidoyl fluoride.
What is the SMILES notation for N,3-dimethylbut-2-enimidoyl fluoride?
The canonical SMILES for N,3-dimethylbut-2-enimidoyl fluoride is C/N=C(\F)C=C(C)C.
What is the InChIKey of N,3-dimethylbut-2-enimidoyl fluoride?
The InChIKey is DJFVMBLKDCNNQQ-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10FN/c1-5(2)4-6(7)8-3/h4H,1-3H3/b8-6-.
What are the key properties of N,3-dimethylbut-2-enimidoyl fluoride?
N,3-dimethylbut-2-enimidoyl fluoride has a molecular weight of 115.15 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbut-2-enimidoyl fluoride is sourced from PubChem (CID 169133098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).