[1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine

C12H22F2N2 — CID 105335935

IUPAC[1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)C1CCC(F)(F)CC1
InChIInChI=1S/C12H22F2N2/c1-9(2)3-4-11(16-15)10-5-7-12(13,14)8-6-10/h10-11,16H,1,3-8,15H2,2H3
InChIKeyOHRQHFMUGFWADJ-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.00
Rot. Bonds5

About [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine

[1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine (PubChem CID 105335935) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine.

Molecular Properties

Compound Name[1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine
PubChem CID105335935
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name[1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine
SMILESC=C(C)CCC(NN)C1CCC(F)(F)CC1
InChIInChI=1S/C12H22F2N2/c1-9(2)3-4-11(16-15)10-5-7-12(13,14)8-6-10/h10-11,16H,1,3-8,15H2,2H3
InChIKeyOHRQHFMUGFWADJ-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.00
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

4-(4,4-Difluorohex-1-en-2-yl)cyclohexan-1-amine
CID 134430016
[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
1-(4,4-Difluorocyclohexyl)-3-methylbut-3-en-1-amine
CID 105163123
3-Methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163172
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-[3-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105182674
4-Methyl-1-[4-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105182729
(1,1,1-Trifluoro-7-methyloct-7-en-4-yl)hydrazine
CID 105248965
(1,1,1-Trifluoro-6-methylideneoctan-4-yl)hydrazine
CID 105249074

Frequently Asked Questions

What is the IUPAC name of [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine?
The IUPAC name of [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine (CID 105335935) is [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine.
What is the SMILES notation for [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine?
The canonical SMILES for [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine is C=C(C)CCC(NN)C1CCC(F)(F)CC1.
What is the InChIKey of [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine?
The InChIKey is OHRQHFMUGFWADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-9(2)3-4-11(16-15)10-5-7-12(13,14)8-6-10/h10-11,16H,1,3-8,15H2,2H3.
What are the key properties of [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine?
[1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine has a molecular weight of 232.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4-difluorocyclohexyl)-4-methylpent-4-enyl]hydrazine is sourced from PubChem (CID 105335935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).