N-prop-1-en-2-ylprop-2-enimidoyl fluoride

C6H8FN — CID 144912391

IUPACN-prop-1-en-2-ylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C(=C)C
InChIInChI=1S/C6H8FN/c1-4-6(7)8-5(2)3/h4H,1-2H2,3H3/b8-6-
InChIKeyJOYSOCBERFUNDA-VURMDHGXSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About N-prop-1-en-2-ylprop-2-enimidoyl fluoride

N-prop-1-en-2-ylprop-2-enimidoyl fluoride (PubChem CID 144912391) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is N-prop-1-en-2-ylprop-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-prop-1-en-2-ylprop-2-enimidoyl fluoride
PubChem CID144912391
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC NameN-prop-1-en-2-ylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/C(=C)C
InChIInChI=1S/C6H8FN/c1-4-6(7)8-5(2)3/h4H,1-2H2,3H3/b8-6-
InChIKeyJOYSOCBERFUNDA-VURMDHGXSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
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-prop-1-en-2-ylprop-2-enimidoyl fluoride?
The IUPAC name of N-prop-1-en-2-ylprop-2-enimidoyl fluoride (CID 144912391) is N-prop-1-en-2-ylprop-2-enimidoyl fluoride.
What is the SMILES notation for N-prop-1-en-2-ylprop-2-enimidoyl fluoride?
The canonical SMILES for N-prop-1-en-2-ylprop-2-enimidoyl fluoride is C=C/C(F)=N/C(=C)C.
What is the InChIKey of N-prop-1-en-2-ylprop-2-enimidoyl fluoride?
The InChIKey is JOYSOCBERFUNDA-VURMDHGXSA-N. The full InChI is InChI=1S/C6H8FN/c1-4-6(7)8-5(2)3/h4H,1-2H2,3H3/b8-6-.
What are the key properties of N-prop-1-en-2-ylprop-2-enimidoyl fluoride?
N-prop-1-en-2-ylprop-2-enimidoyl fluoride has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-1-en-2-ylprop-2-enimidoyl fluoride is sourced from PubChem (CID 144912391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).