1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol

C12H10F10O — CID 87958462

IUPAC1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol
SMILESOC(CC1=C2CCC(C2)C1(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F10O/c13-9(12(20,21)22)6-2-1-5(3-6)7(9)4-8(23,10(14,15)16)11(17,18)19/h6,23H,1-4H2
InChIKeyCGIIIGTZWLYXMJ-UHFFFAOYSA-N
MW360.19 g/mol
LogP4.61
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol (PubChem CID 87958462) has the molecular formula C12H10F10O and a molecular weight of 360.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol
PubChem CID87958462
Molecular FormulaC12H10F10O
Molecular Weight360.19 g/mol
Exact Mass360.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol
SMILESOC(CC1=C2CCC(C2)C1(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H10F10O/c13-9(12(20,21)22)6-2-1-5(3-6)7(9)4-8(23,10(14,15)16)11(17,18)19/h6,23H,1-4H2
InChIKeyCGIIIGTZWLYXMJ-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol?
The IUPAC name of 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) is 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol is OC(CC1=C2CCC(C2)C1(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol?
The InChIKey is CGIIIGTZWLYXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F10O/c13-9(12(20,21)22)6-2-1-5(3-6)7(9)4-8(23,10(14,15)16)11(17,18)19/h6,23H,1-4H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol has a molecular weight of 360.19 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol is sourced from PubChem (CID 87958462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).