bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

C11H14F6O — CID 87422539

IUPACbicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
SMILESC1=CC2CCC1C2.CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10.C4H4F6O/c1-2-7-4-3-6(1)5-7;1-2(11,3(5,6)7)4(8,9)10/h1-2,6-7H,3-5H2;11H,1H3
InChIKeyLHUDZAVRCXOPBK-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.83
Rot. Bonds

About bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol

bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol (PubChem CID 87422539) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
PubChem CID87422539
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Namebicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
SMILESC1=CC2CCC1C2.CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10.C4H4F6O/c1-2-7-4-3-6(1)5-7;1-2(11,3(5,6)7)4(8,9)10/h1-2,6-7H,3-5H2;11H,1H3
InChIKeyLHUDZAVRCXOPBK-UHFFFAOYSA-N
XLogP3.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.83
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 bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol (CID 87422539) is bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol is C1=CC2CCC1C2.CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
The InChIKey is LHUDZAVRCXOPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C4H4F6O/c1-2-7-4-3-6(1)5-7;1-2(11,3(5,6)7)4(8,9)10/h1-2,6-7H,3-5H2;11H,1H3.
What are the key properties of bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol?
bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol has a molecular weight of 276.22 g/mol, XLogP of 3.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol is sourced from PubChem (CID 87422539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).