[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine

C14H21F3N2 — CID 114211448

IUPAC[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine
SMILESCC(C)(C)CCCC(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H21F3N2/c1-14(2,3)6-4-5-12(19-18)9-7-10(15)13(17)11(16)8-9/h7-8,12,19H,4-6,18H2,1-3H3
InChIKeyYZTQZZJRKJWHGO-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.82
Rot. Bonds5

About [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine

[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine (PubChem CID 114211448) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine.

Molecular Properties

Compound Name[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine
PubChem CID114211448
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine
SMILESCC(C)(C)CCCC(NN)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H21F3N2/c1-14(2,3)6-4-5-12(19-18)9-7-10(15)13(17)11(16)8-9/h7-8,12,19H,4-6,18H2,1-3H3
InChIKeyYZTQZZJRKJWHGO-UHFFFAOYSA-N
XLogP3.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(3,4-difluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105197132
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine
CID 114210054
[1-(6-fluoro-1-benzothiophen-2-yl)-5,5-dimethylhexyl]hydrazine
CID 114211702
[1-(3,4-difluorophenyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026429
1-(3,5-difluorophenyl)hexylhydrazine
CID 105207948
[5,5,5-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentyl]hydrazine
CID 105328962
(4,4-dimethyl-1-phenylpentyl)hydrazine
CID 105199306
[4,4,4-trifluoro-1-(3-fluoro-5-methylphenyl)butyl]hydrazine
CID 105249105
[1-(2,4-difluoro-5-methylphenyl)-5,5,5-trifluoropentyl]hydrazine
CID 105329005
4-ethylsulfonyl-N-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine
CID 65095652

Frequently Asked Questions

What is the IUPAC name of [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine?
The IUPAC name of [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine (CID 114211448) is [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine.
What is the SMILES notation for [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine?
The canonical SMILES for [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine is CC(C)(C)CCCC(NN)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine?
The InChIKey is YZTQZZJRKJWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-14(2,3)6-4-5-12(19-18)9-7-10(15)13(17)11(16)8-9/h7-8,12,19H,4-6,18H2,1-3H3.
What are the key properties of [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine?
[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine has a molecular weight of 274.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine is sourced from PubChem (CID 114211448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).