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

C10H11F9O — CID 91062180

IUPACethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
SMILESCC.OC1(C(F)(F)F)C=CCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9O.C2H6/c9-6(10,11)4(7(12,13)14)2-1-3-5(4,18)8(15,16)17;1-2/h1,3,18H,2H2;1-2H3
InChIKeyDVBJPKJGRSTMRQ-UHFFFAOYSA-N
MW318.18 g/mol
LogP4.38
Rot. Bonds

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

ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol (PubChem CID 91062180) has the molecular formula C10H11F9O and a molecular weight of 318.18 g/mol. Its IUPAC name is ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Nameethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
PubChem CID91062180
Molecular FormulaC10H11F9O
Molecular Weight318.18 g/mol
Exact Mass318.07
IUPAC Nameethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
SMILESCC.OC1(C(F)(F)F)C=CCC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H5F9O.C2H6/c9-6(10,11)4(7(12,13)14)2-1-3-5(4,18)8(15,16)17;1-2/h1,3,18H,2H2;1-2H3
InChIKeyDVBJPKJGRSTMRQ-UHFFFAOYSA-N
XLogP4.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 54.38
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 ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
The IUPAC name of ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol (CID 91062180) is ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
The canonical SMILES for ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol is CC.OC1(C(F)(F)F)C=CCC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
The InChIKey is DVBJPKJGRSTMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F9O.C2H6/c9-6(10,11)4(7(12,13)14)2-1-3-5(4,18)8(15,16)17;1-2/h1,3,18H,2H2;1-2H3.
What are the key properties of ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol?
ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol has a molecular weight of 318.18 g/mol, XLogP of 4.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 91062180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).