4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride

C8H11F2N — CID 134172148

IUPAC4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
SMILESC/C=C\N=C(C=CC(C)F)F
InChIInChI=1S/C8H11F2N/c1-3-6-11-8(10)5-4-7(2)9/h3-7H,1-2H3/b5-4?,6-3-,11-8?
InChIKeyHROZVEMCBAHEIN-JFFBBITISA-N
MW159.18 g/mol
LogP2.20
Rot. Bonds3

About 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride

4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride (PubChem CID 134172148) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
PubChem CID134172148
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride
SMILESC/C=C\N=C(C=CC(C)F)F
InChIInChI=1S/C8H11F2N/c1-3-6-11-8(10)5-4-7(2)9/h3-7H,1-2H3/b5-4?,6-3-,11-8?
InChIKeyHROZVEMCBAHEIN-JFFBBITISA-N
XLogP2.20
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity183

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride?
The IUPAC name of 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride (CID 134172148) is 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride.
What is the SMILES notation for 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride?
The canonical SMILES for 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride is C/C=C\N=C(C=CC(C)F)F.
What is the InChIKey of 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride?
The InChIKey is HROZVEMCBAHEIN-JFFBBITISA-N. The full InChI is InChI=1S/C8H11F2N/c1-3-6-11-8(10)5-4-7(2)9/h3-7H,1-2H3/b5-4?,6-3-,11-8?.
What are the key properties of 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride?
4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride has a molecular weight of 159.18 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-prop-1-enyl]pent-2-enimidoyl fluoride is sourced from PubChem (CID 134172148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).