N-ethyl-3-methylbut-2-enimidoyl fluoride

C7H12FN — CID 147374438

IUPACN-ethyl-3-methylbut-2-enimidoyl fluoride
SMILESCC/N=C(\F)C=C(C)C
InChIInChI=1S/C7H12FN/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/b9-7-
InChIKeyDJSQKWKDILOJNL-CLFYSBASSA-N
MW129.18 g/mol
LogP2.34
Rot. Bonds2

About N-ethyl-3-methylbut-2-enimidoyl fluoride

N-ethyl-3-methylbut-2-enimidoyl fluoride (PubChem CID 147374438) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is N-ethyl-3-methylbut-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-ethyl-3-methylbut-2-enimidoyl fluoride
PubChem CID147374438
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC NameN-ethyl-3-methylbut-2-enimidoyl fluoride
SMILESCC/N=C(\F)C=C(C)C
InChIInChI=1S/C7H12FN/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/b9-7-
InChIKeyDJSQKWKDILOJNL-CLFYSBASSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-ethyl-3-methylbut-2-enimidoyl fluoride?
The IUPAC name of N-ethyl-3-methylbut-2-enimidoyl fluoride (CID 147374438) is N-ethyl-3-methylbut-2-enimidoyl fluoride.
What is the SMILES notation for N-ethyl-3-methylbut-2-enimidoyl fluoride?
The canonical SMILES for N-ethyl-3-methylbut-2-enimidoyl fluoride is CC/N=C(\F)C=C(C)C.
What is the InChIKey of N-ethyl-3-methylbut-2-enimidoyl fluoride?
The InChIKey is DJSQKWKDILOJNL-CLFYSBASSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-9-7(8)5-6(2)3/h5H,4H2,1-3H3/b9-7-.
What are the key properties of N-ethyl-3-methylbut-2-enimidoyl fluoride?
N-ethyl-3-methylbut-2-enimidoyl fluoride has a molecular weight of 129.18 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methylbut-2-enimidoyl fluoride is sourced from PubChem (CID 147374438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).