1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol

C8H5F9O — CID 21062412

IUPAC1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
SMILESOC1(C(F)(F)F)C=CCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9O/c9-6(10,11)4(7(12,13)14)2-1-3-5(4,18)8(15,16)17/h1,3,18H,2H2
InChIKeyKWMVDGPLTJZHTN-UHFFFAOYSA-N
MW288.11 g/mol
LogP3.35
Rot. Bonds

About 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol

1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol (PubChem CID 21062412) has the molecular formula C8H5F9O and a molecular weight of 288.11 g/mol. Its IUPAC name is 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
PubChem CID21062412
Molecular FormulaC8H5F9O
Molecular Weight288.11 g/mol
Exact Mass288.02
IUPAC Name1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
SMILESOC1(C(F)(F)F)C=CCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9O/c9-6(10,11)4(7(12,13)14)2-1-3-5(4,18)8(15,16)17/h1,3,18H,2H2
InChIKeyKWMVDGPLTJZHTN-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.11
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
The IUPAC name of 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol (CID 21062412) is 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
The canonical SMILES for 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol is OC1(C(F)(F)F)C=CCC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
The InChIKey is KWMVDGPLTJZHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9O/c9-6(10,11)4(7(12,13)14)2-1-3-5(4,18)8(15,16)17/h1,3,18H,2H2.
What are the key properties of 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol has a molecular weight of 288.11 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 21062412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).