N-propylprop-2-enimidoyl fluoride

C6H10FN — CID 144683898

IUPACN-propylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/CCC
InChIInChI=1S/C6H10FN/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3/b8-6-
InChIKeyHQGQYWDTJKQJKK-VURMDHGXSA-N
MW115.15 g/mol
LogP1.95
Rot. Bonds3

About N-propylprop-2-enimidoyl fluoride

N-propylprop-2-enimidoyl fluoride (PubChem CID 144683898) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is N-propylprop-2-enimidoyl fluoride.

Molecular Properties

Compound NameN-propylprop-2-enimidoyl fluoride
PubChem CID144683898
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC NameN-propylprop-2-enimidoyl fluoride
SMILESC=C/C(F)=N/CCC
InChIInChI=1S/C6H10FN/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3/b8-6-
InChIKeyHQGQYWDTJKQJKK-VURMDHGXSA-N
XLogP1.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-propylprop-2-enimidoyl fluoride?
The IUPAC name of N-propylprop-2-enimidoyl fluoride (CID 144683898) is N-propylprop-2-enimidoyl fluoride.
What is the SMILES notation for N-propylprop-2-enimidoyl fluoride?
The canonical SMILES for N-propylprop-2-enimidoyl fluoride is C=C/C(F)=N/CCC.
What is the InChIKey of N-propylprop-2-enimidoyl fluoride?
The InChIKey is HQGQYWDTJKQJKK-VURMDHGXSA-N. The full InChI is InChI=1S/C6H10FN/c1-3-5-8-6(7)4-2/h4H,2-3,5H2,1H3/b8-6-.
What are the key properties of N-propylprop-2-enimidoyl fluoride?
N-propylprop-2-enimidoyl fluoride has a molecular weight of 115.15 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylprop-2-enimidoyl fluoride is sourced from PubChem (CID 144683898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).