[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine

C13H12F3IN2OS — CID 105296941

IUPAC[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(OC(F)(F)F)cc1)c1csc(I)c1
InChIInChI=1S/C13H12F3IN2OS/c14-13(15,16)20-10-3-1-8(2-4-10)5-11(19-18)9-6-12(17)21-7-9/h1-4,6-7,11,19H,5,18H2
InChIKeyUSHNNFVQOKBPGG-UHFFFAOYSA-N
MW428.22 g/mol
LogP4.00
Rot. Bonds5

About [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine

[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine (PubChem CID 105296941) has the molecular formula C13H12F3IN2OS and a molecular weight of 428.22 g/mol. Its IUPAC name is [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine.

Molecular Properties

Compound Name[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
PubChem CID105296941
Molecular FormulaC13H12F3IN2OS
Molecular Weight428.22 g/mol
Exact Mass427.97
IUPAC Name[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
SMILESNNC(Cc1ccc(OC(F)(F)F)cc1)c1csc(I)c1
InChIInChI=1S/C13H12F3IN2OS/c14-13(15,16)20-10-3-1-8(2-4-10)5-11(19-18)9-6-12(17)21-7-9/h1-4,6-7,11,19H,5,18H2
InChIKeyUSHNNFVQOKBPGG-UHFFFAOYSA-N
XLogP4.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.22
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(5-iodothiophen-3-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843418
[2-(4-tert-butylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105296570
[2-(3,4-dimethylphenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105290057
[1-(3-methylthiophen-2-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105296937
[2-thiophen-2-yl-1-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105295517
N-ethyl-2-(4-ethylphenyl)-1-(5-iodothiophen-3-yl)ethanamine
CID 115803429
[1-(1H-1,2,4-triazol-5-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105230325
[2-(2-bromo-5-fluorophenyl)-1-(5-iodothiophen-3-yl)ethyl]hydrazine
CID 105297096
N-methyl-1-thiophen-3-yl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 62601116
5-iodo-N-[[4-(trifluoromethoxy)phenyl]methyl]thiophene-3-carboxamide
CID 78949795
[3,3-dimethyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-yl]hydrazine
CID 105296950
1-(3-chlorothiophen-2-yl)-N-methyl-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843408

Frequently Asked Questions

What is the IUPAC name of [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The IUPAC name of [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine (CID 105296941) is [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine.
What is the SMILES notation for [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The canonical SMILES for [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine is NNC(Cc1ccc(OC(F)(F)F)cc1)c1csc(I)c1.
What is the InChIKey of [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
The InChIKey is USHNNFVQOKBPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3IN2OS/c14-13(15,16)20-10-3-1-8(2-4-10)5-11(19-18)9-6-12(17)21-7-9/h1-4,6-7,11,19H,5,18H2.
What are the key properties of [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine?
[1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine has a molecular weight of 428.22 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-iodothiophen-3-yl)-2-[4-(trifluoromethoxy)phenyl]ethyl]hydrazine is sourced from PubChem (CID 105296941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).