[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

C13H12ClF3N2S — CID 105293218

IUPAC[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cccc(C(F)(F)F)c1)c1sccc1Cl
InChIInChI=1S/C13H12ClF3N2S/c14-10-4-5-20-12(10)11(19-18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11,19H,7,18H2
InChIKeyJXWGCTALSBKAAY-UHFFFAOYSA-N
MW320.77 g/mol
LogP4.17
Rot. Bonds4

About [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine

[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (PubChem CID 105293218) has the molecular formula C13H12ClF3N2S and a molecular weight of 320.77 g/mol. Its IUPAC name is [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
PubChem CID105293218
Molecular FormulaC13H12ClF3N2S
Molecular Weight320.77 g/mol
Exact Mass320.04
IUPAC Name[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
SMILESNNC(Cc1cccc(C(F)(F)F)c1)c1sccc1Cl
InChIInChI=1S/C13H12ClF3N2S/c14-10-4-5-20-12(10)11(19-18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11,19H,7,18H2
InChIKeyJXWGCTALSBKAAY-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.77
LogP ≤ 54.17
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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Related Compounds

[1-(3-bromothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235170
[1-(3-chlorothiophen-2-yl)-3,3,3-trifluoropropyl]hydrazine
CID 107362011
3-[1-hydrazinyl-2-[3-(trifluoromethyl)phenyl]ethyl]pyridin-2-amine
CID 105235141
1-(3-chloro-4-methylthiophen-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 103405485
[2-(2-chloro-3-fluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]hydrazine
CID 105332778
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045
[1-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105235142
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
[1-(3-chlorothiophen-2-yl)-2-(furan-2-yl)ethyl]hydrazine
CID 105331476
[1-(3-bromo-2-pyridinyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105268064
[1-(1-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105253379
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine (CID 105293218) is [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is NNC(Cc1cccc(C(F)(F)F)c1)c1sccc1Cl.
What is the InChIKey of [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
The InChIKey is JXWGCTALSBKAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2S/c14-10-4-5-20-12(10)11(19-18)7-8-2-1-3-9(6-8)13(15,16)17/h1-6,11,19H,7,18H2.
What are the key properties of [1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine?
[1-(3-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine has a molecular weight of 320.77 g/mol, XLogP of 4.17, 4 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)-2-[3-(trifluoromethyl)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105293218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).