2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H10F6O2 — CID 11357854

IUPAC2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(OC1C[C@@H]2C=C[C@H]1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(17,10(14,15)16)18-7-4-5-1-2-6(7)3-5/h1-2,5-7,17H,3-4H2/t5-,6+,7?/m1/s1
InChIKeyCTRNMUQSFZVIJE-JEAXJGTLSA-N
MW276.18 g/mol
LogP2.78
Rot. Bonds2

About 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11357854) has the molecular formula C10H10F6O2 and a molecular weight of 276.18 g/mol. Its IUPAC name is 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11357854
Molecular FormulaC10H10F6O2
Molecular Weight276.18 g/mol
Exact Mass276.06
IUPAC Name2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(OC1C[C@@H]2C=C[C@H]1C2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F6O2/c11-9(12,13)8(17,10(14,15)16)18-7-4-5-1-2-6(7)3-5/h1-2,5-7,17H,3-4H2/t5-,6+,7?/m1/s1
InChIKeyCTRNMUQSFZVIJE-JEAXJGTLSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-{[(Bicyclo[2.2.1]hept-5-en-2-yl)oxy]methyl}-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20617081
4-(2-Bicyclo[2.2.1]hept-5-enyloxy)-2,2-bis(trifluoromethyl)oxetane
CID 20789758
5-[3,3,3-Trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]bicyclo[2.2.1]hept-2-ene
CID 20789762
2-(2-Bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20873005
2-(2-Bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20873006
3-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)oxybicyclo[2.2.1]hept-5-en-2-ol
CID 20873009
5-(2,2,3,3,4,4,5,5-Octafluoropentoxy)bicyclo[2.2.1]hept-2-ene
CID 57628969
2-Bicyclo[2.2.1]hept-5-enyl 2,2-difluoroacetate
CID 58435994
4-(2-Bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-2-ol
CID 58743416
3-(2-Bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butan-2-ol
CID 58743430
4-(2-Bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,2,2,5,5,6,6,6-decafluoro-3,4-bis(trifluoromethyl)hexan-3-ol
CID 58743436
5-(2-Bicyclo[2.2.1]hept-5-enyloxy)-1,1,1,2,2,6,6,7,7,7-decafluoro-3,5-bis(trifluoromethyl)heptan-3-ol
CID 58743444

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11357854) is 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(OC1C[C@@H]2C=C[C@H]1C2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CTRNMUQSFZVIJE-JEAXJGTLSA-N. The full InChI is InChI=1S/C10H10F6O2/c11-9(12,13)8(17,10(14,15)16)18-7-4-5-1-2-6(7)3-5/h1-2,5-7,17H,3-4H2/t5-,6+,7?/m1/s1.
What are the key properties of 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 276.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11357854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).