3-(trifluoromethyl)but-3-en-2-ylhydrazine

C5H9F3N2 — CID 130565177

IUPAC3-(trifluoromethyl)but-3-en-2-ylhydrazine
SMILESC=C(C(C)NN)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(4(2)10-9)5(6,7)8/h4,10H,1,9H2,2H3
InChIKeyBOMQYDWHSQRTFV-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.96
Rot. Bonds2

About 3-(trifluoromethyl)but-3-en-2-ylhydrazine

3-(trifluoromethyl)but-3-en-2-ylhydrazine (PubChem CID 130565177) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)but-3-en-2-ylhydrazine.

Molecular Properties

Compound Name3-(trifluoromethyl)but-3-en-2-ylhydrazine
PubChem CID130565177
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name3-(trifluoromethyl)but-3-en-2-ylhydrazine
SMILESC=C(C(C)NN)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(4(2)10-9)5(6,7)8/h4,10H,1,9H2,2H3
InChIKeyBOMQYDWHSQRTFV-UHFFFAOYSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.96
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

5-(Difluoromethyl)-2,4-dimethyl-1,5-dihydropyrazole
CID 89393957
5,5,5-Trifluoropent-1-en-3-ylhydrazine
CID 105205886
2-(Difluoromethyl)-4,5-dimethyl-1,5-dihydropyrazole
CID 156104368
1-Methyl-2-[3-methyl-2-(trifluoromethyl)but-3-enyl]hydrazine
CID 165058297
[5,5,5-Trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-yl]hydrazine
CID 103312853
(1,1,1-Trifluoro-5-methylhex-5-en-3-yl)hydrazine
CID 105206128
(5,5,5-Trifluoro-2-methylpent-1-en-3-yl)hydrazine
CID 105206138
(1,1,1-Trifluoro-5-methylhex-4-en-3-yl)hydrazine
CID 105206169
(1,1,1-Trifluoro-5-methylhex-5-en-2-yl)hydrazine
CID 105215672
(1,1,1-Trifluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105215814
(1,1,1-Trifluoro-4-methylidenehexan-2-yl)hydrazine
CID 105215821
(1,1,1-Trifluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105215823

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)but-3-en-2-ylhydrazine?
The IUPAC name of 3-(trifluoromethyl)but-3-en-2-ylhydrazine (CID 130565177) is 3-(trifluoromethyl)but-3-en-2-ylhydrazine.
What is the SMILES notation for 3-(trifluoromethyl)but-3-en-2-ylhydrazine?
The canonical SMILES for 3-(trifluoromethyl)but-3-en-2-ylhydrazine is C=C(C(C)NN)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)but-3-en-2-ylhydrazine?
The InChIKey is BOMQYDWHSQRTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-3(4(2)10-9)5(6,7)8/h4,10H,1,9H2,2H3.
What are the key properties of 3-(trifluoromethyl)but-3-en-2-ylhydrazine?
3-(trifluoromethyl)but-3-en-2-ylhydrazine has a molecular weight of 154.13 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)but-3-en-2-ylhydrazine is sourced from PubChem (CID 130565177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).