[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine

C9H10F3IN2 — CID 105215678

IUPAC[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3IN2/c10-9(11,12)8(15-14)5-6-1-3-7(13)4-2-6/h1-4,8,15H,5,14H2
InChIKeyWNNVCKODMKBDED-UHFFFAOYSA-N
MW330.09 g/mol
LogP2.23
Rot. Bonds3

About [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine

[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine (PubChem CID 105215678) has the molecular formula C9H10F3IN2 and a molecular weight of 330.09 g/mol. Its IUPAC name is [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
PubChem CID105215678
Molecular FormulaC9H10F3IN2
Molecular Weight330.09 g/mol
Exact Mass329.98
IUPAC Name[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
SMILESNNC(Cc1ccc(I)cc1)C(F)(F)F
InChIInChI=1S/C9H10F3IN2/c10-9(11,12)8(15-14)5-6-1-3-7(13)4-2-6/h1-4,8,15H,5,14H2
InChIKeyWNNVCKODMKBDED-UHFFFAOYSA-N
XLogP2.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.09
LogP ≤ 52.23
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

[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984
N,N,3-triethyl-2-hydrazinyl-1-(4-iodophenyl)pentan-3-amine
CID 105241983
2-hydrazinyl-1-(4-iodophenyl)-N,N,3-trimethylpentan-3-amine
CID 105240562
[1,1-difluoro-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105265085
[3-(azepan-1-yl)-1-(4-iodophenyl)-3-methylbutan-2-yl]hydrazine
CID 105240327
[1,1,1-trifluoro-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105215669
1-(4-iodophenyl)-N,3,3-trimethylbutan-2-amine
CID 65478318
[1,1,1-trifluoro-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 105215650
[2-(4-iodophenyl)-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105193885
[1-(3,4-difluorophenyl)-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105310411
[1-(4-tert-butylphenyl)-2-(4-iodophenyl)ethyl]hydrazine
CID 105310370
[2-(4-iodophenyl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208110

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine (CID 105215678) is [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine is NNC(Cc1ccc(I)cc1)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine?
The InChIKey is WNNVCKODMKBDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3IN2/c10-9(11,12)8(15-14)5-6-1-3-7(13)4-2-6/h1-4,8,15H,5,14H2.
What are the key properties of [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine?
[1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine has a molecular weight of 330.09 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-3-(4-iodophenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105215678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).