[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine

C12H15F5N2 — CID 105329005

IUPAC[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
SMILESCc1cc(C(CCCC(F)(F)F)NN)c(F)cc1F
InChIInChI=1S/C12H15F5N2/c1-7-5-8(10(14)6-9(7)13)11(19-18)3-2-4-12(15,16)17/h5-6,11,19H,2-4,18H2,1H3
InChIKeyRHWXBQZGJHXZKZ-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.51
Rot. Bonds5

About [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine

[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine (PubChem CID 105329005) has the molecular formula C12H15F5N2 and a molecular weight of 282.26 g/mol. Its IUPAC name is [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
PubChem CID105329005
Molecular FormulaC12H15F5N2
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
SMILESCc1cc(C(CCCC(F)(F)F)NN)c(F)cc1F
InChIInChI=1S/C12H15F5N2/c1-7-5-8(10(14)6-9(7)13)11(19-18)3-2-4-12(15,16)17/h5-6,11,19H,2-4,18H2,1H3
InChIKeyRHWXBQZGJHXZKZ-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)pentylhydrazine
CID 105293823
1-(2,4-difluoro-5-methylphenyl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 79723863
1-(2,4-difluoro-5-methylphenyl)hex-5-ynylhydrazine
CID 105333477
[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
CID 105256874
[1-(2,4-difluoro-5-methylphenyl)-3-phenylpropyl]hydrazine
CID 105285916
[1-(2,4-difluoro-5-methylphenyl)-2-(2,6-dimethylphenyl)ethyl]hydrazine
CID 105329197
5,5,5-trifluoro-1-(2-fluoro-4-methylphenyl)pentan-1-ol
CID 115828331
[4,4,4-trifluoro-1-(2-fluoro-3-methylphenyl)butyl]hydrazine
CID 105313967
[1-(2,4-difluoro-5-methylphenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105290044
1-(2,4-difluoro-5-methylphenyl)-N-methyloctan-1-amine
CID 79724313
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105328962

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine?
The IUPAC name of [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine (CID 105329005) is [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine.
What is the SMILES notation for [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine?
The canonical SMILES for [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine is Cc1cc(C(CCCC(F)(F)F)NN)c(F)cc1F.
What is the InChIKey of [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine?
The InChIKey is RHWXBQZGJHXZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2/c1-7-5-8(10(14)6-9(7)13)11(19-18)3-2-4-12(15,16)17/h5-6,11,19H,2-4,18H2,1H3.
What are the key properties of [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine?
[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine has a molecular weight of 282.26 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine is sourced from PubChem (CID 105329005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).