[1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine

C12H23F3N2 — CID 105249024

IUPAC[1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCC1CCC(C(CCC(F)(F)F)NN)CC1C
InChIInChI=1S/C12H23F3N2/c1-8-3-4-10(7-9(8)2)11(17-16)5-6-12(13,14)15/h8-11,17H,3-7,16H2,1-2H3
InChIKeyTVSNSXNAJBTWMZ-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds4

About [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine

[1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105249024) has the molecular formula C12H23F3N2 and a molecular weight of 252.32 g/mol. Its IUPAC name is [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105249024
Molecular FormulaC12H23F3N2
Molecular Weight252.32 g/mol
Exact Mass252.18
IUPAC Name[1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCC1CCC(C(CCC(F)(F)F)NN)CC1C
InChIInChI=1S/C12H23F3N2/c1-8-3-4-10(7-9(8)2)11(17-16)5-6-12(13,14)15/h8-11,17H,3-7,16H2,1-2H3
InChIKeyTVSNSXNAJBTWMZ-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
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-Cyclohexyl-2,2,2-trifluoro-ethyl)hydrazine hydrochloride
CID 129247996
1-(3,4-Dimethylcyclohexyl)-3,3,3-trifluoropropan-1-amine
CID 64738438
1-(3,4-Dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 79953436
[1-Cyclohexyl-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312700
[5-Ethyl-1,1,1-trifluoro-2-(trifluoromethyl)nonan-3-yl]hydrazine
CID 103312731
[1,1,1-Trifluoro-5-methyl-2-(trifluoromethyl)octan-3-yl]hydrazine
CID 103312773
[1-(2-Ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312814
[1-(3,5-Dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312823
[1-(3,4-Dimethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312824
[1-(4-Ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312827
[3,3,3-Trifluoro-1-(3-methylcyclohexyl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312829
[1-(3-Ethylcyclohexyl)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]hydrazine
CID 103312830

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine (CID 105249024) is [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine is CC1CCC(C(CCC(F)(F)F)NN)CC1C.
What is the InChIKey of [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is TVSNSXNAJBTWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2/c1-8-3-4-10(7-9(8)2)11(17-16)5-6-12(13,14)15/h8-11,17H,3-7,16H2,1-2H3.
What are the key properties of [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 252.32 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dimethylcyclohexyl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105249024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).