1,1,1-trifluorobut-3-en-2-ylidenehydrazine

C4H5F3N2 — CID 118457579

IUPAC1,1,1-trifluorobut-3-en-2-ylidenehydrazine
SMILESC=CC(=NN)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c1-2-3(9-8)4(5,6)7/h2H,1,8H2
InChIKeyXBIUEWCOUFXVPA-UHFFFAOYSA-N
MW138.09 g/mol
LogP1.05
Rot. Bonds1

About 1,1,1-trifluorobut-3-en-2-ylidenehydrazine

1,1,1-trifluorobut-3-en-2-ylidenehydrazine (PubChem CID 118457579) has the molecular formula C4H5F3N2 and a molecular weight of 138.09 g/mol. Its IUPAC name is 1,1,1-trifluorobut-3-en-2-ylidenehydrazine.

Molecular Properties

Compound Name1,1,1-trifluorobut-3-en-2-ylidenehydrazine
PubChem CID118457579
Molecular FormulaC4H5F3N2
Molecular Weight138.09 g/mol
Exact Mass138.04
IUPAC Name1,1,1-trifluorobut-3-en-2-ylidenehydrazine
SMILESC=CC(=NN)C(F)(F)F
InChIInChI=1S/C4H5F3N2/c1-2-3(9-8)4(5,6)7/h2H,1,8H2
InChIKeyXBIUEWCOUFXVPA-UHFFFAOYSA-N
XLogP1.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.09
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
ethenyl (1Z)-N-amino-2,2,2-trifluoroethanimidothioate
CID 172965590
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
N'-ethenyl-2,2,2-trifluoroethanimidamide
CID 134560294
1,1-difluoro-2-(trifluoromethyl)buta-1,3-diene
CID 15204769
1,1,1-trifluoropent-4-ene-2,3-dione
CID 152536588
(3E)-4-amino-1,1,1-trifluorohexa-3,5-dien-2-one
CID 176670545
1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
CID 149273405
3-fluoro-N',4-dimethyl-N-(1,1,1-trifluorobut-3-en-2-ylidene)benzenecarboximidamide
CID 170104415
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
2-methyl-3-methyliminopent-4-en-2-ol
CID 145069918

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
The IUPAC name of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine (CID 118457579) is 1,1,1-trifluorobut-3-en-2-ylidenehydrazine.
What is the SMILES notation for 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
The canonical SMILES for 1,1,1-trifluorobut-3-en-2-ylidenehydrazine is C=CC(=NN)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
The InChIKey is XBIUEWCOUFXVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3N2/c1-2-3(9-8)4(5,6)7/h2H,1,8H2.
What are the key properties of 1,1,1-trifluorobut-3-en-2-ylidenehydrazine?
1,1,1-trifluorobut-3-en-2-ylidenehydrazine has a molecular weight of 138.09 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorobut-3-en-2-ylidenehydrazine is sourced from PubChem (CID 118457579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).