(3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine

C7H8ClFN2 — CID 143847287

IUPAC(3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine
SMILESNNC1=CC(Cl)=C(F)C=CC1
InChIInChI=1S/C7H8ClFN2/c8-6-4-5(11-10)2-1-3-7(6)9/h1,3-4,11H,2,10H2
InChIKeyVSSUFXXZWSVECX-UHFFFAOYSA-N
MW174.61 g/mol
LogP1.71
Rot. Bonds1

About (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine

(3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine (PubChem CID 143847287) has the molecular formula C7H8ClFN2 and a molecular weight of 174.61 g/mol. Its IUPAC name is (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine.

Molecular Properties

Compound Name(3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine
PubChem CID143847287
Molecular FormulaC7H8ClFN2
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name(3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine
SMILESNNC1=CC(Cl)=C(F)C=CC1
InChIInChI=1S/C7H8ClFN2/c8-6-4-5(11-10)2-1-3-7(6)9/h1,3-4,11H,2,10H2
InChIKeyVSSUFXXZWSVECX-UHFFFAOYSA-N
XLogP1.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 51.71
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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Related Compounds

(5-Fluorocyclohepta-1,4,6-trien-1-yl)hydrazine
CID 139334698
[(3E,5E)-6-fluorohepta-3,5-dien-3-yl]hydrazine
CID 144097644
4-Chloro-6-fluoro-3-propan-2-yl-1,2-dihydropyridazine
CID 146392520
(6-Fluorocyclohexa-1,3-dien-1-yl)hydrazine
CID 163668641
Cyclohepta-1,4,6-trien-1-ylhydrazine;molecular hydrogen
CID 141958710
Cyclohepta-1,3,5-trien-1-ylhydrazine
CID 143048832
3-Chloro-6-ethyl-1,2-dihydropyridazine
CID 146392842
[(3Z)-4-chlorohexa-3,5-dien-3-yl]hydrazine
CID 155008342
Cyclohepta-1,4,6-trien-1-ylhydrazine
CID 141958711

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine?
The IUPAC name of (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine (CID 143847287) is (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine.
What is the SMILES notation for (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine?
The canonical SMILES for (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine is NNC1=CC(Cl)=C(F)C=CC1.
What is the InChIKey of (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine?
The InChIKey is VSSUFXXZWSVECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2/c8-6-4-5(11-10)2-1-3-7(6)9/h1,3-4,11H,2,10H2.
What are the key properties of (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine?
(3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine has a molecular weight of 174.61 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorocyclohepta-1,3,5-trien-1-yl)hydrazine is sourced from PubChem (CID 143847287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).