(E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol

C8H8F6O — CID 138714501

IUPAC(E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol
SMILESC=C/C(=C\C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O/c1-3-5(4-2)6(15,7(9,10)11)8(12,13)14/h3-4,15H,1H2,2H3/b5-4+
InChIKeyAHWNFNHDALNDRD-SNAWJCMRSA-N
MW234.14 g/mol
LogP2.97
Rot. Bonds2

About (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol

(E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol (PubChem CID 138714501) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol
PubChem CID138714501
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name(E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol
SMILESC=C/C(=C\C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H8F6O/c1-3-5(4-2)6(15,7(9,10)11)8(12,13)14/h3-4,15H,1H2,2H3/b5-4+
InChIKeyAHWNFNHDALNDRD-SNAWJCMRSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol?
The IUPAC name of (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol (CID 138714501) is (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol.
What is the SMILES notation for (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol?
The canonical SMILES for (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol is C=C/C(=C\C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol?
The InChIKey is AHWNFNHDALNDRD-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H8F6O/c1-3-5(4-2)6(15,7(9,10)11)8(12,13)14/h3-4,15H,1H2,2H3/b5-4+.
What are the key properties of (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol?
(E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol has a molecular weight of 234.14 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethenyl-1,1,1-trifluoro-2-(trifluoromethyl)pent-3-en-2-ol is sourced from PubChem (CID 138714501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).