N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride

C4H7FN2 — CID 88894558

IUPACN-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride
SMILESCC(=C/N)/N=C/F
InChIInChI=1S/C4H7FN2/c1-4(2-6)7-3-5/h2-3H,6H2,1H3/b4-2-,7-3+
InChIKeySKENBDAFMHRRPB-UFSYDLLYSA-N
MW102.11 g/mol
LogP0.80
Rot. Bonds1

About N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride

N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride (PubChem CID 88894558) has the molecular formula C4H7FN2 and a molecular weight of 102.11 g/mol. Its IUPAC name is N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride.

Molecular Properties

Compound NameN-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride
PubChem CID88894558
Molecular FormulaC4H7FN2
Molecular Weight102.11 g/mol
Exact Mass102.06
IUPAC NameN-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride
SMILESCC(=C/N)/N=C/F
InChIInChI=1S/C4H7FN2/c1-4(2-6)7-3-5/h2-3H,6H2,1H3/b4-2-,7-3+
InChIKeySKENBDAFMHRRPB-UFSYDLLYSA-N
XLogP0.80
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride?
The IUPAC name of N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride (CID 88894558) is N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride.
What is the SMILES notation for N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride?
The canonical SMILES for N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride is CC(=C/N)/N=C/F.
What is the InChIKey of N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride?
The InChIKey is SKENBDAFMHRRPB-UFSYDLLYSA-N. The full InChI is InChI=1S/C4H7FN2/c1-4(2-6)7-3-5/h2-3H,6H2,1H3/b4-2-,7-3+.
What are the key properties of N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride?
N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride has a molecular weight of 102.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-aminoprop-1-en-2-yl]methanimidoyl fluoride is sourced from PubChem (CID 88894558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).