[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine

C10H12F3IN2 — CID 105205984

IUPAC[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)CC(F)(F)F
InChIInChI=1S/C10H12F3IN2/c11-10(12,13)6-9(16-15)5-7-1-3-8(14)4-2-7/h1-4,9,16H,5-6,15H2
InChIKeyDFAINJACESJCCZ-UHFFFAOYSA-N
MW344.12 g/mol
LogP2.62
Rot. Bonds4

About [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine

[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine (PubChem CID 105205984) has the molecular formula C10H12F3IN2 and a molecular weight of 344.12 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
PubChem CID105205984
Molecular FormulaC10H12F3IN2
Molecular Weight344.12 g/mol
Exact Mass344.00
IUPAC Name[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)CC(F)(F)F
InChIInChI=1S/C10H12F3IN2/c11-10(12,13)6-9(16-15)5-7-1-3-8(14)4-2-7/h1-4,9,16H,5-6,15H2
InChIKeyDFAINJACESJCCZ-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.12
LogP ≤ 52.62
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'}

Analyze [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206174
[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105215678
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 107894856
4,4,4-trifluoro-1-(4-iodophenyl)butan-2-ol
CID 65478092
[1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205945
(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
CID 105206014
[1-(4-iodophenyl)-3-methylsulfonylpropan-2-yl]hydrazine
CID 105310388
[1,1-difluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105265085
[1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206168
[1-(2,6-dichlorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105209757
[5,5,5-trifluoro-1-(4-methylphenyl)pentan-2-yl]hydrazine
CID 105211232

Frequently Asked Questions

What is the IUPAC name of [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine (CID 105205984) is [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine is NNC(Cc1ccc(I)cc1)CC(F)(F)F.
What is the InChIKey of [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine?
The InChIKey is DFAINJACESJCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3IN2/c11-10(12,13)6-9(16-15)5-7-1-3-8(14)4-2-7/h1-4,9,16H,5-6,15H2.
What are the key properties of [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine?
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine has a molecular weight of 344.12 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine is sourced from PubChem (CID 105205984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).