1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine

C13H23F3N2 — CID 105311422

IUPAC1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
SMILESC=CCCCC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-2-3-4-9-12(18-17)10-7-5-6-8-11(10)13(14,15)16/h2,10-12,18H,1,3-9,17H2
InChIKeyKVAQIXZIFYSRIX-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.54
Rot. Bonds6

About 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine

1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine (PubChem CID 105311422) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
PubChem CID105311422
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC Name1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
SMILESC=CCCCC(NN)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H23F3N2/c1-2-3-4-9-12(18-17)10-7-5-6-8-11(10)13(14,15)16/h2,10-12,18H,1,3-9,17H2
InChIKeyKVAQIXZIFYSRIX-UHFFFAOYSA-N
XLogP3.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
CID 107011407
[4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-enyl]hydrazine
CID 105336006
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153388
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108665
1-cycloheptyloct-7-enylhydrazine
CID 107012509
1-cyclohexyloct-7-en-3-ylhydrazine
CID 105311304
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hex-5-enylhydrazine
CID 105311234
1-(7-bicyclo[4.1.0]heptanyl)pent-4-enylhydrazine
CID 105311622
2-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105139095
1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
CID 105311638
N-hex-5-en-2-yl-2-(trifluoromethyl)cyclohexan-1-amine
CID 113429287
N-methyl-1-(2-methylcyclopentyl)hex-5-en-1-amine
CID 107189131

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine?
The IUPAC name of 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine (CID 105311422) is 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine.
What is the SMILES notation for 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine?
The canonical SMILES for 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine is C=CCCCC(NN)C1CCCCC1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine?
The InChIKey is KVAQIXZIFYSRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-2-3-4-9-12(18-17)10-7-5-6-8-11(10)13(14,15)16/h2,10-12,18H,1,3-9,17H2.
What are the key properties of 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine?
1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine has a molecular weight of 264.33 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine is sourced from PubChem (CID 105311422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).