1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine

C11H19F3N2 — CID 105289643

IUPAC1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine
SMILESC=CCC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-2-4-10(16-15)8-5-3-6-9(7-8)11(12,13)14/h2,8-10,16H,1,3-7,15H2
InChIKeyWHCBUBMANAEYAC-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.76
Rot. Bonds4

About 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine

1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine (PubChem CID 105289643) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine
PubChem CID105289643
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine
SMILESC=CCC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2/c1-2-4-10(16-15)8-5-3-6-9(7-8)11(12,13)14/h2,8-10,16H,1,3-7,15H2
InChIKeyWHCBUBMANAEYAC-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1,1,1-Trifluoro-2-(trifluoromethyl)oct-7-en-3-yl]hydrazine
CID 103312820
1-[3-(Trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108488
1-(4,4-Difluorocyclohexyl)hex-5-en-1-amine
CID 105153205
1-[3-(Trifluoromethyl)cyclohexyl]hex-5-en-1-amine
CID 105153206
1-[3-(Trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153519
1-[3-(Trifluoromethyl)cyclohexyl]prop-2-en-1-amine
CID 105161280
1-(4,4-Difluorocyclohexyl)but-3-enylhydrazine
CID 105289648
1-[4-(Trifluoromethyl)cyclohexyl]but-3-enylhydrazine
CID 105289665
1-[2-(Trifluoromethyl)cyclohexyl]but-3-enylhydrazine
CID 105289703
1-[3-(Trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311347
1-(4,4-Difluorocyclohexyl)hex-5-enylhydrazine
CID 105311352
1-[4-(Trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311377

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine (CID 105289643) is 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine is C=CCC(NN)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine?
The InChIKey is WHCBUBMANAEYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c1-2-4-10(16-15)8-5-3-6-9(7-8)11(12,13)14/h2,8-10,16H,1,3-7,15H2.
What are the key properties of 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine?
1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine has a molecular weight of 236.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohexyl]but-3-enylhydrazine is sourced from PubChem (CID 105289643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).