[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine

C12H13F7N2 — CID 105328962

IUPAC[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F7N2/c13-9-4-3-7(6-8(9)12(17,18)19)10(21-20)2-1-5-11(14,15)16/h3-4,6,10,21H,1-2,5,20H2
InChIKeyYLXGWHRRXBANHR-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.08
Rot. Bonds5

About [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine

[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine (PubChem CID 105328962) has the molecular formula C12H13F7N2 and a molecular weight of 318.24 g/mol. Its IUPAC name is [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine.

Molecular Properties

Compound Name[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
PubChem CID105328962
Molecular FormulaC12H13F7N2
Molecular Weight318.24 g/mol
Exact Mass318.10
IUPAC Name[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
SMILESNNC(CCCC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H13F7N2/c13-9-4-3-7(6-8(9)12(17,18)19)10(21-20)2-1-5-11(14,15)16/h3-4,6,10,21H,1-2,5,20H2
InChIKeyYLXGWHRRXBANHR-UHFFFAOYSA-N
XLogP4.08
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.08
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-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
[1-(2,3-dihydro-1-benzofuran-5-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105328955
N,N-dimethyl-4-(5,5,5-trifluoro-1-hydrazinylpentyl)aniline
CID 105328860
[1-(2-chloro-4-pyridinyl)-5,5,5-trifluoropentyl]hydrazine
CID 105252699
(5,5,5-trifluoro-1-thiophen-3-ylpentyl)hydrazine
CID 105196769
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylpentyl]hydrazine
CID 107292585
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 115516717
[5,5,5-trifluoro-1-(2-fluoro-4-methoxyphenyl)pentyl]hydrazine
CID 105256874
[4,4,4-trifluoro-1-(4-propan-2-ylphenyl)butyl]hydrazine
CID 105193990
[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132
(5,5,5-trifluoro-1-pyridazin-4-ylpentyl)hydrazine
CID 105328969
[5,5,5-trifluoro-1-(3-methylsulfonylphenyl)pentyl]hydrazine
CID 105328847

Frequently Asked Questions

What is the IUPAC name of [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine?
The IUPAC name of [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine (CID 105328962) is [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine.
What is the SMILES notation for [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine?
The canonical SMILES for [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine is NNC(CCCC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine?
The InChIKey is YLXGWHRRXBANHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F7N2/c13-9-4-3-7(6-8(9)12(17,18)19)10(21-20)2-1-5-11(14,15)16/h3-4,6,10,21H,1-2,5,20H2.
What are the key properties of [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine?
[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine has a molecular weight of 318.24 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine is sourced from PubChem (CID 105328962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).