[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine

C12H21F3N2 — CID 105319636

IUPAC[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-8(2)7-11(17-16)9-3-5-10(6-4-9)12(13,14)15/h9-11,17H,1,3-7,16H2,2H3
InChIKeyZBTCEOUVXACWFG-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.15
Rot. Bonds4

About [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine

[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine (PubChem CID 105319636) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine
PubChem CID105319636
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-8(2)7-11(17-16)9-3-5-10(6-4-9)12(13,14)15/h9-11,17H,1,3-7,16H2,2H3
InChIKeyZBTCEOUVXACWFG-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.15
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-5-methylidene-2-(trifluoromethyl)heptan-3-yl]hydrazine
CID 103312854
[1,1,1-Trifluoro-6-methyl-2-(trifluoromethyl)hept-6-en-3-yl]hydrazine
CID 103312910
3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163172
2-Methyl-1-[4-(trifluoromethyl)cyclohexyl]prop-2-en-1-amine
CID 105163805
1-(4,4-Difluorocyclohexyl)-3-methylidenepentan-1-amine
CID 105164066
1-(4,4-Difluorocyclohexyl)-4-methylpent-4-en-1-amine
CID 105182673
4-Methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105182729
[1-(4-Ethylcyclohexyl)-3,3,3-trifluoropropyl]hydrazine
CID 105206003
[3,3,3-Trifluoro-1-(4-methylcyclohexyl)propyl]hydrazine
CID 105206051
[4,4,4-Trifluoro-1-(4-methylcyclohexyl)butyl]hydrazine
CID 105210475
[5,5,5-Trifluoro-1-(4-methylcyclohexyl)pentyl]hydrazine
CID 105210562
[1-(4-Ethylcyclohexyl)-2,2,2-trifluoroethyl]hydrazine
CID 105215697

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine?
The IUPAC name of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine (CID 105319636) is [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine is C=C(C)CC(NN)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine?
The InChIKey is ZBTCEOUVXACWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-8(2)7-11(17-16)9-3-5-10(6-4-9)12(13,14)15/h9-11,17H,1,3-7,16H2,2H3.
What are the key properties of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine?
[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine has a molecular weight of 250.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-enyl]hydrazine is sourced from PubChem (CID 105319636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).