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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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopent-3-en-1-yl]propan-2-ol
CID 21062399
1,2,2,3-Tetrakis(trifluoromethyl)cyclopent-4-ene-1,3-diol
CID 21062411
1,5,5-Tris(trifluoromethyl)cyclopent-2-en-1-ol
CID 21062412
2-Cyclopent-3-en-1-yl-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21062416
5,5-Difluoro-1-(trifluoromethyl)cyclopent-2-en-1-ol
CID 21062455
(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
CID 22451075
1,1,1,3,3,3-Hexafluoro-2-(3-fluoro-1-prop-2-enylcyclobut-2-en-1-yl)propan-2-ol
CID 58854814
1,1,1,3,3,3-hexafluoro-2-[3-fluoro-1-[(E)-4,4,4-trifluorobut-2-enyl]cyclobut-2-en-1-yl]propan-2-ol
CID 58854820
1-(1,1,1-Trifluoro-2-methylpropan-2-yl)cyclohexa-2,4-dien-1-ol
CID 68388631
(E,3S)-1,1,1-trifluoro-3,7,8,8-tetramethyl-2-(trifluoromethyl)non-5-en-2-ol
CID 89150430
5-Fluoro-1,5-bis(trifluoromethyl)cyclopent-2-en-1-ol
CID 89202826
1,1,1,3,3,3-Hexafluoro-2-(1-methylcyclohex-3-en-1-yl)propan-2-ol
CID 89211045

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).