(1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine

C5H9F3N2 — CID 105215823

IUPAC(1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(NN)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(2)4(10-9)5(6,7)8/h4,10H,1,9H2,2H3
InChIKeyCTKBESIKCRYCLC-UHFFFAOYSA-N
MW154.13 g/mol
LogP0.96
Rot. Bonds2

About (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine

(1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine (PubChem CID 105215823) has the molecular formula C5H9F3N2 and a molecular weight of 154.13 g/mol. Its IUPAC name is (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine
PubChem CID105215823
Molecular FormulaC5H9F3N2
Molecular Weight154.13 g/mol
Exact Mass154.07
IUPAC Name(1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine
SMILESC=C(C)C(NN)C(F)(F)F
InChIInChI=1S/C5H9F3N2/c1-3(2)4(10-9)5(6,7)8/h4,10H,1,9H2,2H3
InChIKeyCTKBESIKCRYCLC-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

[(Z)-2-(trifluoromethyl)but-2-enyl]hydrazine
CID 88612140
(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-4-methylpent-4-en-2-yl)hydrazine
CID 105215814
(1,1,1-Trifluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105215853
(6,6,6-Trifluoro-2-methylhex-1-en-3-yl)hydrazine
CID 105249076
(1,1-Difluoro-4-methylpent-4-en-2-yl)hydrazine
CID 105265225
(1,1-Difluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105265234
(1,1-Difluoro-4-methylpent-3-en-2-yl)hydrazine
CID 105265265
(1-Chloro-1,1-difluoro-3-methylbut-3-en-2-yl)hydrazine
CID 105265608
1,1-Difluorobut-3-en-2-ylhydrazine
CID 121603982

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine (CID 105215823) is (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine is C=C(C)C(NN)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine?
The InChIKey is CTKBESIKCRYCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2/c1-3(2)4(10-9)5(6,7)8/h4,10H,1,9H2,2H3.
What are the key properties of (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine?
(1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine 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 (1,1,1-trifluoro-3-methylbut-3-en-2-yl)hydrazine is sourced from PubChem (CID 105215823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).