2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H8F6O — CID 20760924

IUPAC2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=CC2C=CC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O/c11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,4-6,17H,3H2
InChIKeyFQYGCTAZPKAESS-UHFFFAOYSA-N
MW258.16 g/mol
LogP2.97
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20760924) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20760924
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(C1=CC2C=CC1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F6O/c11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,4-6,17H,3H2
InChIKeyFQYGCTAZPKAESS-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.97
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

3-Hydroxy-3-(pentafluoroethyl)cyclohexene
CID 13495699
2-(2-Bicyclo[2.2.1]hepta-2,5-dienyl)propan-2-ol
CID 13030528
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 20760915
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 20760916
2-(2-Bicyclo[2.2.1]hept-2-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20760919
1,1,1-Trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol
CID 22887492
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 58455651
5,6-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]hepta-2,5-dien-2-ol
CID 60125217
1,1,1-Trifluoro-2-[3-(2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 68006648
1,1,1-Trifluoro-2-[4-(5-methylhexan-3-yl)cyclohexen-1-yl]but-3-en-2-ol
CID 68384493
2-(Cyclohex-3-en-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87065332
1,1,1,3,3,3-Hexafluoro-2-[3-(2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 89678550

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20760924) is 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(C1=CC2C=CC1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FQYGCTAZPKAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O/c11-9(12,13)8(17,10(14,15)16)7-4-5-1-2-6(7)3-5/h1-2,4-6,17H,3H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 258.16 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hepta-2,5-dienyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20760924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).