[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine

C15H15ClFIN2 — CID 105264373

IUPAC[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFIN2/c16-14-3-1-2-11(15(14)17)9-13(20-19)8-10-4-6-12(18)7-5-10/h1-7,13,20H,8-9,19H2
InChIKeyJWVFTMAEGFYRBL-UHFFFAOYSA-N
MW404.65 g/mol
LogP3.70
Rot. Bonds5

About [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine

[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine (PubChem CID 105264373) has the molecular formula C15H15ClFIN2 and a molecular weight of 404.65 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
PubChem CID105264373
Molecular FormulaC15H15ClFIN2
Molecular Weight404.65 g/mol
Exact Mass404.00
IUPAC Name[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F
InChIInChI=1S/C15H15ClFIN2/c16-14-3-1-2-11(15(14)17)9-13(20-19)8-10-4-6-12(18)7-5-10/h1-7,13,20H,8-9,19H2
InChIKeyJWVFTMAEGFYRBL-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.65
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)-N-methylpropan-2-amine
CID 82806392
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302
[1-(3-chloro-2-fluorophenyl)-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105264393
1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-amine
CID 82805672
[1-(2,6-dichlorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105209757
[1-(2,6-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-yl]hydrazine
CID 105209834
1-(3-chloro-2-fluorophenyl)-2-(4-iodophenyl)ethanamine
CID 65479346
[1-(3-chloro-2-fluorophenyl)-5-methoxypentan-2-yl]hydrazine
CID 105264431
1-(3-chloro-2-fluorophenyl)-3-(4-methoxyphenyl)-N-methylpropan-2-amine
CID 102857527
[1-(4-chlorophenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105197647
[1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 102867810
1-(2,3-difluorophenyl)-N-ethyl-3-(4-iodophenyl)propan-2-amine
CID 115864310

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine (CID 105264373) is [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine is NNC(Cc1ccc(I)cc1)Cc1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine?
The InChIKey is JWVFTMAEGFYRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFIN2/c16-14-3-1-2-11(15(14)17)9-13(20-19)8-10-4-6-12(18)7-5-10/h1-7,13,20H,8-9,19H2.
What are the key properties of [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine?
[1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine has a molecular weight of 404.65 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105264373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).