[3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine

C12H21F3N2 — CID 105319867

IUPAC[3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-8(2)6-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h6,9-11,17H,3-5,7,16H2,1-2H3
InChIKeyCEJQFFDGGQBCCD-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.15
Rot. Bonds3

About [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine

[3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine (PubChem CID 105319867) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
PubChem CID105319867
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name[3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
SMILESCC(C)=CC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H21F3N2/c1-8(2)6-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h6,9-11,17H,3-5,7,16H2,1-2H3
InChIKeyCEJQFFDGGQBCCD-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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-(4,4-Difluorocyclohexyl)-3-methylbut-2-en-1-amine
CID 105163433
3-Methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 105163434
3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 105163485
[1-(Cyclohexen-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105269859
[1-(Cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105269964
1-[3-(Trifluoromethyl)cyclohexyl]but-3-enylhydrazine
CID 105289643
1-(4,4-Difluorocyclohexyl)but-3-enylhydrazine
CID 105289648
1-[4-(Trifluoromethyl)cyclohexyl]but-3-enylhydrazine
CID 105289665
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
1-[3-(Trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311607

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine?
The IUPAC name of [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine (CID 105319867) is [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine is CC(C)=CC(NN)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine?
The InChIKey is CEJQFFDGGQBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-8(2)6-11(17-16)9-4-3-5-10(7-9)12(13,14)15/h6,9-11,17H,3-5,7,16H2,1-2H3.
What are the key properties of [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine?
[3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine has a molecular weight of 250.31 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine is sourced from PubChem (CID 105319867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).