[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine

C14H12F3IN2 — CID 105208110

IUPAC[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H12F3IN2/c15-11-6-9(7-12(16)14(11)17)13(20-19)5-8-1-3-10(18)4-2-8/h1-4,6-7,13,20H,5,19H2
InChIKeyJWIUWDJEAQBMOR-UHFFFAOYSA-N
MW392.16 g/mol
LogP3.46
Rot. Bonds4

About [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine

[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine (PubChem CID 105208110) has the molecular formula C14H12F3IN2 and a molecular weight of 392.16 g/mol. Its IUPAC name is [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
PubChem CID105208110
Molecular FormulaC14H12F3IN2
Molecular Weight392.16 g/mol
Exact Mass392.00
IUPAC Name[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H12F3IN2/c15-11-6-9(7-12(16)14(11)17)13(20-19)5-8-1-3-10(18)4-2-8/h1-4,6-7,13,20H,5,19H2
InChIKeyJWIUWDJEAQBMOR-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'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-(2,6-dimethyl-4-pyridinyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 107505113
[1-(4-bromophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105192389
[2-(4-iodophenyl)-1-pyridin-4-ylethyl]hydrazine
CID 105196467
[1-(3-bromo-5-chlorophenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 114019542
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310370
[1-(3-chloro-4-methylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310314
1-(4-chloro-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 107993415
1-(4-bromo-3-fluorophenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 115864029
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
3-[1-hydrazinyl-2-(4-iodophenyl)ethyl]-N,N-dimethylaniline
CID 105310254
[2-(1,3-thiazol-5-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208069

Frequently Asked Questions

What is the IUPAC name of [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
The IUPAC name of [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine (CID 105208110) is [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine.
What is the SMILES notation for [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
The canonical SMILES for [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine is NNC(Cc1ccc(I)cc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
The InChIKey is JWIUWDJEAQBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3IN2/c15-11-6-9(7-12(16)14(11)17)13(20-19)5-8-1-3-10(18)4-2-8/h1-4,6-7,13,20H,5,19H2.
What are the key properties of [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine?
[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine has a molecular weight of 392.16 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine is sourced from PubChem (CID 105208110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).