2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol

C10H10F6O — CID 87438860

IUPAC2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
SMILESOC(F)(F)C(F)(C1=C2CCC(C2)C1)C(F)(F)F
InChIInChI=1S/C10H10F6O/c11-8(9(12,13)14,10(15,16)17)7-4-5-1-2-6(7)3-5/h5,17H,1-4H2
InChIKeyCQXWQWLYCQXLNE-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.34
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol

2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol (PubChem CID 87438860) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
PubChem CID87438860
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
SMILESOC(F)(F)C(F)(C1=C2CCC(C2)C1)C(F)(F)F
InChIInChI=1S/C10H10F6O/c11-8(9(12,13)14,10(15,16)17)7-4-5-1-2-6(7)3-5/h5,17H,1-4H2
InChIKeyCQXWQWLYCQXLNE-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol with MolForge

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Related Compounds

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]hept-2-enyl]propan-2-ol
CID 20760914
2-(1',1'-Bis(trifluoromethyl)-1'-hydroxyethyl)norbornene
CID 58999840
1,1,1,3,3,3-Hexafluoro-2-[3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 59752418
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol
CID 87438861
2-(2-Bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 87648098
3-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
CID 87737089
1,1,1,3,3,3-Hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol
CID 87958462
1,1,1,3,3,3-Hexafluoro-2-[3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 90945350
2-(2-Bicyclo[2.2.1]hept-1(6)-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91300240
2-(2-Bicyclo[2.2.1]hept-2-enylmethyl)-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 118862603
2-[5,6-Bis(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanol
CID 140462868
1,1,2,3,3,3-Hexafluoro-2-[3-(1,1,1,2,3,3-hexafluoro-3-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-1-ol
CID 140485399

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol (CID 87438860) is 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol is OC(F)(F)C(F)(C1=C2CCC(C2)C1)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The InChIKey is CQXWQWLYCQXLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O/c11-8(9(12,13)14,10(15,16)17)7-4-5-1-2-6(7)3-5/h5,17H,1-4H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
2-(2-bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol has a molecular weight of 260.18 g/mol, XLogP of 3.34, 2 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]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol is sourced from PubChem (CID 87438860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).