1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol

C10H7F9O — CID 21062400

IUPAC1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H7F9O/c11-6(4-1-2-5(3-4)7(6,12)13)8(20,9(14,15)16)10(17,18)19/h1-2,4-5,20H,3H2
InChIKeyGYXXXTUKVJSADA-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.39
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol (PubChem CID 21062400) has the molecular formula C10H7F9O and a molecular weight of 314.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
PubChem CID21062400
Molecular FormulaC10H7F9O
Molecular Weight314.15 g/mol
Exact Mass314.04
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
SMILESOC(C(F)(F)F)(C(F)(F)F)C1(F)C2C=CC(C2)C1(F)F
InChIInChI=1S/C10H7F9O/c11-6(4-1-2-5(3-4)7(6,12)13)8(20,9(14,15)16)10(17,18)19/h1-2,4-5,20H,3H2
InChIKeyGYXXXTUKVJSADA-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.39
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-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol (CID 21062400) is 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol is OC(C(F)(F)F)(C(F)(F)F)C1(F)C2C=CC(C2)C1(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
The InChIKey is GYXXXTUKVJSADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F9O/c11-6(4-1-2-5(3-4)7(6,12)13)8(20,9(14,15)16)10(17,18)19/h1-2,4-5,20H,3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol has a molecular weight of 314.15 g/mol, XLogP of 3.39, 1 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-(2,3,3-trifluoro-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol is sourced from PubChem (CID 21062400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).