N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide

C4H5FN2 — CID 166122174

IUPACN-[(Z)-3-fluoroprop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C\F
InChIInChI=1S/C4H5FN2/c5-2-1-3-7-4-6/h1-4,6H/b2-1-,6-4+,7-3+
InChIKeyFJNUMJFHOTXUGF-UEWURIIMSA-N
MW100.10 g/mol
LogP1.15
Rot. Bonds2

About N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide

N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide (PubChem CID 166122174) has the molecular formula C4H5FN2 and a molecular weight of 100.10 g/mol. Its IUPAC name is N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-3-fluoroprop-2-enylidene]methanimidamide
PubChem CID166122174
Molecular FormulaC4H5FN2
Molecular Weight100.10 g/mol
Exact Mass100.04
IUPAC NameN-[(Z)-3-fluoroprop-2-enylidene]methanimidamide
SMILES[H]/N=C/N=C/C=C\F
InChIInChI=1S/C4H5FN2/c5-2-1-3-7-4-6/h1-4,6H/b2-1-,6-4+,7-3+
InChIKeyFJNUMJFHOTXUGF-UEWURIIMSA-N
XLogP1.15
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.10
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
The IUPAC name of N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide (CID 166122174) is N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide.
What is the SMILES notation for N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
The canonical SMILES for N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide is [H]/N=C/N=C/C=C\F.
What is the InChIKey of N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
The InChIKey is FJNUMJFHOTXUGF-UEWURIIMSA-N. The full InChI is InChI=1S/C4H5FN2/c5-2-1-3-7-4-6/h1-4,6H/b2-1-,6-4+,7-3+.
What are the key properties of N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide?
N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide has a molecular weight of 100.10 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-fluoroprop-2-enylidene]methanimidamide is sourced from PubChem (CID 166122174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).