[(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine

C9H13FN2 — CID 89153918

IUPAC[(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine
SMILESC/C=C(/NN)C1C=CC(F)=CC1
InChIInChI=1S/C9H13FN2/c1-2-9(12-11)7-3-5-8(10)6-4-7/h2-3,5-7,12H,4,11H2,1H3/b9-2+
InChIKeyJRVLJWPQNIREBS-XNWCZRBMSA-N
MW168.21 g/mol
LogP1.78
Rot. Bonds2

About [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine

[(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine (PubChem CID 89153918) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine.

Molecular Properties

Compound Name[(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine
PubChem CID89153918
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC Name[(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine
SMILESC/C=C(/NN)C1C=CC(F)=CC1
InChIInChI=1S/C9H13FN2/c1-2-9(12-11)7-3-5-8(10)6-4-7/h2-3,5-7,12H,4,11H2,1H3/b9-2+
InChIKeyJRVLJWPQNIREBS-XNWCZRBMSA-N
XLogP1.78
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine?
The IUPAC name of [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine (CID 89153918) is [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine.
What is the SMILES notation for [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine?
The canonical SMILES for [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine is C/C=C(/NN)C1C=CC(F)=CC1.
What is the InChIKey of [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine?
The InChIKey is JRVLJWPQNIREBS-XNWCZRBMSA-N. The full InChI is InChI=1S/C9H13FN2/c1-2-9(12-11)7-3-5-8(10)6-4-7/h2-3,5-7,12H,4,11H2,1H3/b9-2+.
What are the key properties of [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine?
[(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine has a molecular weight of 168.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-(4-fluorocyclohexa-2,4-dien-1-yl)prop-1-enyl]hydrazine is sourced from PubChem (CID 89153918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).