1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium

C5H4F6OY — CID 59893076

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium
SMILESC=CC(O)(C(F)(F)F)C(F)(F)F.[Y]
InChIInChI=1S/C5H4F6O.Y/c1-2-3(12,4(6,7)8)5(9,10)11;/h2,12H,1H2;
InChIKeyHPIIVICENWHYGV-UHFFFAOYSA-N
MW282.98 g/mol
LogP2.03
Rot. Bonds1

About 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium

1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium (PubChem CID 59893076) has the molecular formula C5H4F6OY and a molecular weight of 282.98 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium
PubChem CID59893076
Molecular FormulaC5H4F6OY
Molecular Weight282.98 g/mol
Exact Mass282.92
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium
SMILESC=CC(O)(C(F)(F)F)C(F)(F)F.[Y]
InChIInChI=1S/C5H4F6O.Y/c1-2-3(12,4(6,7)8)5(9,10)11;/h2,12H,1H2;
InChIKeyHPIIVICENWHYGV-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.98
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(trifluoromethyl)penta-1,4-dien-3-ol
CID 169094405
1,1,1,4,4-pentafluoro-2-(trifluoromethyl)but-3-en-2-ol
CID 10014064
1,1,1-trifluoro-2-(fluoromethyl)but-3-en-2-ol
CID 87791383
3,3,3-trifluoroprop-1-ene
CID 90915807
1,1,3,3,3-pentafluoroprop-1-ene;3,3,3-trifluoroprop-1-ene
CID 21301207
1,1-bis(sulfanyl)prop-2-en-1-ol
CID 123602556
1,1,1,2,3,3-hexafluorohex-5-en-2-ol
CID 23508681
1,1,1,2,2-pentafluoro-3-(trifluoromethyl)hex-5-en-3-ol
CID 20743967
2-(difluoromethyl)-1,1,1,3-tetrafluoropent-4-en-2-ol
CID 87971644
2-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 170770730
3,3,5,6,6,6-hexafluoro-5-(trifluoromethyl)hex-1-ene
CID 88552258
(3E)-5,5,5-trifluoro-2-methylpenta-1,3-diene
CID 102247567

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium (CID 59893076) is 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium is C=CC(O)(C(F)(F)F)C(F)(F)F.[Y].
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium?
The InChIKey is HPIIVICENWHYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O.Y/c1-2-3(12,4(6,7)8)5(9,10)11;/h2,12H,1H2;.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium?
1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium has a molecular weight of 282.98 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol;yttrium is sourced from PubChem (CID 59893076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).