(Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine

C13H16FN3 — CID 89215626

IUPAC(Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine
SMILESC=C1CCC/C1=C(\N)N(N)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-9-3-2-4-12(9)13(15)17(16)11-7-5-10(14)6-8-11/h5-8H,1-4,15-16H2/b13-12-
InChIKeyIKVSQBVXIBKQBG-SEYXRHQNSA-N
MW233.29 g/mol
LogP2.42
Rot. Bonds2

About (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine

(Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine (PubChem CID 89215626) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine.

Molecular Properties

Compound Name(Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine
PubChem CID89215626
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name(Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine
SMILESC=C1CCC/C1=C(\N)N(N)c1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-9-3-2-4-12(9)13(15)17(16)11-7-5-10(14)6-8-11/h5-8H,1-4,15-16H2/b13-12-
InChIKeyIKVSQBVXIBKQBG-SEYXRHQNSA-N
XLogP2.42
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine?
The IUPAC name of (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine (CID 89215626) is (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine.
What is the SMILES notation for (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine?
The canonical SMILES for (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine is C=C1CCC/C1=C(\N)N(N)c1ccc(F)cc1.
What is the InChIKey of (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine?
The InChIKey is IKVSQBVXIBKQBG-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9-3-2-4-12(9)13(15)17(16)11-7-5-10(14)6-8-11/h5-8H,1-4,15-16H2/b13-12-.
What are the key properties of (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine?
(Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine has a molecular weight of 233.29 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(N-amino-4-fluoroanilino)-(2-methylidenecyclopentylidene)methanamine is sourced from PubChem (CID 89215626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).