(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine

C12H13FN2 — CID 145448734

IUPAC(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c13-10-5-3-9(4-6-10)12(15)7-11(14)8-1-2-8/h3-8,15H,1-2,14H2/b11-7-,15-12-
InChIKeyBLJAOBBIZLKFIH-RQCUVPMISA-N
MW204.25 g/mol
LogP2.45
Rot. Bonds3

About (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine

(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine (PubChem CID 145448734) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
PubChem CID145448734
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine
SMILES[H]/N=C(/C=C(\N)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C12H13FN2/c13-10-5-3-9(4-6-10)12(15)7-11(14)8-1-2-8/h3-8,15H,1-2,14H2/b11-7-,15-12-
InChIKeyBLJAOBBIZLKFIH-RQCUVPMISA-N
XLogP2.45
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.45
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 (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine (CID 145448734) is (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine is [H]/N=C(/C=C(\N)C1CC1)c1ccc(F)cc1.
What is the InChIKey of (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
The InChIKey is BLJAOBBIZLKFIH-RQCUVPMISA-N. The full InChI is InChI=1S/C12H13FN2/c13-10-5-3-9(4-6-10)12(15)7-11(14)8-1-2-8/h3-8,15H,1-2,14H2/b11-7-,15-12-.
What are the key properties of (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine?
(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine has a molecular weight of 204.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 145448734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).