N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride

C5H7F2N — CID 163729536

IUPACN-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride
SMILESC/C=C(/F)N=C(C)F
InChIInChI=1S/C5H7F2N/c1-3-5(7)8-4(2)6/h3H,1-2H3/b5-3-,8-4?
InChIKeyKYKOJYAVUPBWSC-FYKCMCNHSA-N
MW119.11 g/mol
LogP2.21
Rot. Bonds1

About N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride

N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride (PubChem CID 163729536) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride.

Molecular Properties

Compound NameN-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride
PubChem CID163729536
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC NameN-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride
SMILESC/C=C(/F)N=C(C)F
InChIInChI=1S/C5H7F2N/c1-3-5(7)8-4(2)6/h3H,1-2H3/b5-3-,8-4?
InChIKeyKYKOJYAVUPBWSC-FYKCMCNHSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride?
The IUPAC name of N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride (CID 163729536) is N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride.
What is the SMILES notation for N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride?
The canonical SMILES for N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride is C/C=C(/F)N=C(C)F.
What is the InChIKey of N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride?
The InChIKey is KYKOJYAVUPBWSC-FYKCMCNHSA-N. The full InChI is InChI=1S/C5H7F2N/c1-3-5(7)8-4(2)6/h3H,1-2H3/b5-3-,8-4?.
What are the key properties of N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride?
N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride has a molecular weight of 119.11 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-fluoroprop-1-enyl]ethanimidoyl fluoride is sourced from PubChem (CID 163729536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).