(Z)-2-formylpent-2-enimidoyl fluoride

C6H8FNO — CID 91568198

IUPAC(Z)-2-formylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C=O)=C\CC
InChIInChI=1S/C6H8FNO/c1-2-3-5(4-9)6(7)8/h3-4,8H,2H2,1H3/b5-3-,8-6-
InChIKeyVWWNQEGODGIFCR-NIOMPZRHSA-N
MW129.13 g/mol
LogP1.47
Rot. Bonds3

About (Z)-2-formylpent-2-enimidoyl fluoride

(Z)-2-formylpent-2-enimidoyl fluoride (PubChem CID 91568198) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is (Z)-2-formylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-2-formylpent-2-enimidoyl fluoride
PubChem CID91568198
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name(Z)-2-formylpent-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(C=O)=C\CC
InChIInChI=1S/C6H8FNO/c1-2-3-5(4-9)6(7)8/h3-4,8H,2H2,1H3/b5-3-,8-6-
InChIKeyVWWNQEGODGIFCR-NIOMPZRHSA-N
XLogP1.47
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(2,2,2-trifluoroethanimidoyl)but-2-enal
CID 167446778
(2E,4E)-2-ethanimidoyl-4-fluorohexa-2,4-dienal
CID 168203233
(E)-4-imino-2-methylpent-2-enal
CID 89139086
(E)-2-ethanimidoylbut-2-enal
CID 91129706
(E)-2-ethanimidoyl-4-iminopent-2-enal
CID 142310890

Frequently Asked Questions

What is the IUPAC name of (Z)-2-formylpent-2-enimidoyl fluoride?
The IUPAC name of (Z)-2-formylpent-2-enimidoyl fluoride (CID 91568198) is (Z)-2-formylpent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-2-formylpent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-2-formylpent-2-enimidoyl fluoride is [H]/N=C(F)/C(C=O)=C\CC.
What is the InChIKey of (Z)-2-formylpent-2-enimidoyl fluoride?
The InChIKey is VWWNQEGODGIFCR-NIOMPZRHSA-N. The full InChI is InChI=1S/C6H8FNO/c1-2-3-5(4-9)6(7)8/h3-4,8H,2H2,1H3/b5-3-,8-6-.
What are the key properties of (Z)-2-formylpent-2-enimidoyl fluoride?
(Z)-2-formylpent-2-enimidoyl fluoride has a molecular weight of 129.13 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-formylpent-2-enimidoyl fluoride is sourced from PubChem (CID 91568198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).