[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine

C7H8ClF3N2S — CID 107362011

IUPAC[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
SMILESNNC(CC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C7H8ClF3N2S/c8-4-1-2-14-6(4)5(13-12)3-7(9,10)11/h1-2,5,13H,3,12H2
InChIKeyWUUVAONKYYGKKU-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.86
Rot. Bonds3

About [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine

[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine (PubChem CID 107362011) has the molecular formula C7H8ClF3N2S and a molecular weight of 244.67 g/mol. Its IUPAC name is [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
PubChem CID107362011
Molecular FormulaC7H8ClF3N2S
Molecular Weight244.67 g/mol
Exact Mass244.00
IUPAC Name[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
SMILESNNC(CC(F)(F)F)c1sccc1Cl
InChIInChI=1S/C7H8ClF3N2S/c8-4-1-2-14-6(4)5(13-12)3-7(9,10)11/h1-2,5,13H,3,12H2
InChIKeyWUUVAONKYYGKKU-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.86
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 [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine?
The IUPAC name of [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine (CID 107362011) is [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine.
What is the SMILES notation for [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine?
The canonical SMILES for [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine is NNC(CC(F)(F)F)c1sccc1Cl.
What is the InChIKey of [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine?
The InChIKey is WUUVAONKYYGKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3N2S/c8-4-1-2-14-6(4)5(13-12)3-7(9,10)11/h1-2,5,13H,3,12H2.
What are the key properties of [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine?
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine has a molecular weight of 244.67 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine is sourced from PubChem (CID 107362011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).