1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine

C8H12FN — CID 139563741

IUPAC1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine
SMILESC=C(F)/C(=N\CC)C1CC1
InChIInChI=1S/C8H12FN/c1-3-10-8(6(2)9)7-4-5-7/h7H,2-5H2,1H3/b10-8+
InChIKeyQKBDRDYPHXBSJR-CSKARUKUSA-N
MW141.19 g/mol
LogP2.34
Rot. Bonds3

About 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine

1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine (PubChem CID 139563741) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine
PubChem CID139563741
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine
SMILESC=C(F)/C(=N\CC)C1CC1
InChIInChI=1S/C8H12FN/c1-3-10-8(6(2)9)7-4-5-7/h7H,2-5H2,1H3/b10-8+
InChIKeyQKBDRDYPHXBSJR-CSKARUKUSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine (CID 139563741) is 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine is C=C(F)/C(=N\CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine?
The InChIKey is QKBDRDYPHXBSJR-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-10-8(6(2)9)7-4-5-7/h7H,2-5H2,1H3/b10-8+.
What are the key properties of 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine?
1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-fluoroprop-2-en-1-imine is sourced from PubChem (CID 139563741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).