1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine

C12H21F3N2 — CID 105311638

IUPAC1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
SMILESC=CCCC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-2-3-4-11(17-16)9-5-7-10(8-6-9)12(13,14)15/h2,9-11,17H,1,3-8,16H2
InChIKeyMGDVGRVVVQXKLE-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.15
Rot. Bonds5

About 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine

1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine (PubChem CID 105311638) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
PubChem CID105311638
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine
SMILESC=CCCC(NN)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2/c1-2-3-4-11(17-16)9-5-7-10(8-6-9)12(13,14)15/h2,9-11,17H,1,3-8,16H2
InChIKeyMGDVGRVVVQXKLE-UHFFFAOYSA-N
XLogP3.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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-tert-butylcyclohexyl)oct-7-enylhydrazine
CID 107012511
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
CID 65400751
1-(7-bicyclo[4.1.0]heptanyl)pent-4-enylhydrazine
CID 105311622
1-cycloheptyloct-7-enylhydrazine
CID 107012509
1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311422
1-(4-tert-butylcyclohexyl)but-3-enylhydrazine
CID 105232743
1-cyclopropylhex-5-en-2-ylhydrazine
CID 105254078
1-(1-cyclopropylpent-4-enylamino)-2-methylpropan-2-ol
CID 115751327
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)hex-5-enylhydrazine
CID 105311234
3-(1-cyclopropylpent-4-enylamino)-2,2-dimethylpropan-1-ol
CID 115894959
(1R)-1-cyclopropylpent-4-en-1-ol
CID 96581912
1-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-ol
CID 105102218

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine?
The IUPAC name of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine (CID 105311638) is 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine.
What is the SMILES notation for 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine?
The canonical SMILES for 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine is C=CCCC(NN)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine?
The InChIKey is MGDVGRVVVQXKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-2-3-4-11(17-16)9-5-7-10(8-6-9)12(13,14)15/h2,9-11,17H,1,3-8,16H2.
What are the key properties of 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine?
1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine has a molecular weight of 250.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)cyclohexyl]pent-4-enylhydrazine is sourced from PubChem (CID 105311638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).