2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride

C7H7F2N3 — CID 155721294

IUPAC2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride
SMILES[H]/N=C(\F)c1c(F)c[nH]c1/N=C\C
InChIInChI=1S/C7H7F2N3/c1-2-11-7-5(6(9)10)4(8)3-12-7/h2-3,10,12H,1H3/b10-6-,11-2-
InChIKeyNYQFBENBGYNICA-AVQFGHCHSA-N
MW171.15 g/mol
LogP2.17
Rot. Bonds2

About 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride

2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride (PubChem CID 155721294) has the molecular formula C7H7F2N3 and a molecular weight of 171.15 g/mol. Its IUPAC name is 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride.

Molecular Properties

Compound Name2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride
PubChem CID155721294
Molecular FormulaC7H7F2N3
Molecular Weight171.15 g/mol
Exact Mass171.06
IUPAC Name2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride
SMILES[H]/N=C(\F)c1c(F)c[nH]c1/N=C\C
InChIInChI=1S/C7H7F2N3/c1-2-11-7-5(6(9)10)4(8)3-12-7/h2-3,10,12H,1H3/b10-6-,11-2-
InChIKeyNYQFBENBGYNICA-AVQFGHCHSA-N
XLogP2.17
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 52.17
H-Bond Donors ≤ 52
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 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride?
The IUPAC name of 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride (CID 155721294) is 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride.
What is the SMILES notation for 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride?
The canonical SMILES for 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride is [H]/N=C(\F)c1c(F)c[nH]c1/N=C\C.
What is the InChIKey of 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride?
The InChIKey is NYQFBENBGYNICA-AVQFGHCHSA-N. The full InChI is InChI=1S/C7H7F2N3/c1-2-11-7-5(6(9)10)4(8)3-12-7/h2-3,10,12H,1H3/b10-6-,11-2-.
What are the key properties of 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride?
2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride has a molecular weight of 171.15 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-ethylideneamino]-4-fluoro-1H-pyrrole-3-carboximidoyl fluoride is sourced from PubChem (CID 155721294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).