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

C11H8F12O2 — CID 21062399

IUPAC1,1,1,3,3,3-hexafluoro-2-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopent-3-en-1-yl]propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(C(O)(C(F)(F)F)C(F)(F)F)CC=CC1
InChIInChI=1S/C11H8F12O2/c12-8(13,14)6(24,9(15,16)17)5(3-1-2-4-5)7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3-4H2
InChIKeyQKUCIKYLNUNLNQ-UHFFFAOYSA-N
MW400.16 g/mol
LogP4.03
Rot. Bonds2

About 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

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 (PubChem CID 21062399) has the molecular formula C11H8F12O2 and a molecular weight of 400.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopent-3-en-1-yl]propan-2-ol
PubChem CID21062399
Molecular FormulaC11H8F12O2
Molecular Weight400.16 g/mol
Exact Mass400.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopent-3-en-1-yl]propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(C(O)(C(F)(F)F)C(F)(F)F)CC=CC1
InChIInChI=1S/C11H8F12O2/c12-8(13,14)6(24,9(15,16)17)5(3-1-2-4-5)7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3-4H2
InChIKeyQKUCIKYLNUNLNQ-UHFFFAOYSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.16
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
1,1,1,5,5,5-Hexafluoro-3,3-bis(prop-2-enyl)-2,4-bis(trifluoromethyl)pentane-2,4-diol
CID 21062434
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
2-[1-(3,3-Difluoroprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58854824
(E,3S)-1,1,1-trifluoro-3,7,8,8-tetramethyl-2-(trifluoromethyl)non-5-en-2-ol
CID 89150430
1,1,1,3,3,3-Hexafluoro-2-(1-methylcyclohex-3-en-1-yl)propan-2-ol
CID 89211045
Ethane;1,5,5-tris(trifluoromethyl)cyclopent-2-en-1-ol
CID 91062180

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is OC(C(F)(F)F)(C(F)(F)F)C1(C(O)(C(F)(F)F)C(F)(F)F)CC=CC1.
What is the InChIKey of 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?
The InChIKey is QKUCIKYLNUNLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F12O2/c12-8(13,14)6(24,9(15,16)17)5(3-1-2-4-5)7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3-4H2.
What are the key properties of 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?
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 has a molecular weight of 400.16 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21062399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).