[1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine

C8H12F6N2 — CID 103312852

IUPAC[1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2/c1-4(2)3-5(16-15)6(7(9,10)11)8(12,13)14/h3,5-6,16H,15H2,1-2H3
InChIKeyBBPLKXJMDSIMFT-UHFFFAOYSA-N
MW250.19 g/mol
LogP2.53
Rot. Bonds3

About [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine

[1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine (PubChem CID 103312852) has the molecular formula C8H12F6N2 and a molecular weight of 250.19 g/mol. Its IUPAC name is [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine
PubChem CID103312852
Molecular FormulaC8H12F6N2
Molecular Weight250.19 g/mol
Exact Mass250.09
IUPAC Name[1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2/c1-4(2)3-5(16-15)6(7(9,10)11)8(12,13)14/h3,5-6,16H,15H2,1-2H3
InChIKeyBBPLKXJMDSIMFT-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.19
LogP ≤ 52.53
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-Fluoro-3,6-dimethylcyclohexa-2,4-dien-1-yl)hydrazine
CID 134385712
1-[(Z)-7,7-difluoro-3-methylidenehept-4-en-2-yl]-2-methylhydrazine
CID 155273413
1,1,1-Trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-amine
CID 103312107
[5,5,5-Trifluoro-4-(trifluoromethyl)pent-1-en-3-yl]hydrazine
CID 103312845
[5,5,5-Trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]hydrazine
CID 103312853
(1,1,1-Trifluoro-5-methylhex-4-en-3-yl)hydrazine
CID 105206169
(1,1,1-Trifluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105215853
(7,7,7-Trifluoro-2-methylhept-2-en-4-yl)hydrazine
CID 105249101
(1,1-Difluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105265265
(2,2-Difluoro-5-methylhex-4-en-3-yl)hydrazine
CID 126985930
1-[(3S,4E)-2,5-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-yl]-2-methylhydrazine
CID 162611633
2,5-Dimethylhex-4-en-3-ylhydrazine
CID 105199708

Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine (CID 103312852) is [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine is CC(C)=CC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine?
The InChIKey is BBPLKXJMDSIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6N2/c1-4(2)3-5(16-15)6(7(9,10)11)8(12,13)14/h3,5-6,16H,15H2,1-2H3.
What are the key properties of [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine?
[1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine has a molecular weight of 250.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-5-methyl-2-(trifluoromethyl)hex-4-en-3-yl]hydrazine is sourced from PubChem (CID 103312852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).