N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride

C6H10FNO — CID 123400399

IUPACN-(2-methoxyprop-1-enyl)ethanimidoyl fluoride
SMILESCOC(C)=C/N=C(\C)F
InChIInChI=1S/C6H10FNO/c1-5(9-3)4-8-6(2)7/h4H,1-3H3/b5-4?,8-6+
InChIKeyFTGRBPKROHSNMX-MJZAGPDTSA-N
MW131.15 g/mol
LogP1.88
Rot. Bonds2

About N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride

N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride (PubChem CID 123400399) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride.

Molecular Properties

Compound NameN-(2-methoxyprop-1-enyl)ethanimidoyl fluoride
PubChem CID123400399
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC NameN-(2-methoxyprop-1-enyl)ethanimidoyl fluoride
SMILESCOC(C)=C/N=C(\C)F
InChIInChI=1S/C6H10FNO/c1-5(9-3)4-8-6(2)7/h4H,1-3H3/b5-4?,8-6+
InChIKeyFTGRBPKROHSNMX-MJZAGPDTSA-N
XLogP1.88
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride?
The IUPAC name of N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride (CID 123400399) is N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride.
What is the SMILES notation for N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride?
The canonical SMILES for N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride is COC(C)=C/N=C(\C)F.
What is the InChIKey of N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride?
The InChIKey is FTGRBPKROHSNMX-MJZAGPDTSA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(9-3)4-8-6(2)7/h4H,1-3H3/b5-4?,8-6+.
What are the key properties of N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride?
N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride has a molecular weight of 131.15 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyprop-1-enyl)ethanimidoyl fluoride is sourced from PubChem (CID 123400399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).