2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol

C11H9F5O — CID 15072751

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C11H9F5O/c12-10(13,11(14,15)16)9(17)5-7-3-1-2-4-8(7)6-9/h1-4,17H,5-6H2
InChIKeyGJXQLGQXXKZYLT-UHFFFAOYSA-N
MW252.18 g/mol
LogP2.71
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol

2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol (PubChem CID 15072751) has the molecular formula C11H9F5O and a molecular weight of 252.18 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol
PubChem CID15072751
Molecular FormulaC11H9F5O
Molecular Weight252.18 g/mol
Exact Mass252.06
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C11H9F5O/c12-10(13,11(14,15)16)9(17)5-7-3-1-2-4-8(7)6-9/h1-4,17H,5-6H2
InChIKeyGJXQLGQXXKZYLT-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol (CID 15072751) is 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol is OC1(C(F)(F)C(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol?
The InChIKey is GJXQLGQXXKZYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O/c12-10(13,11(14,15)16)9(17)5-7-3-1-2-4-8(7)6-9/h1-4,17H,5-6H2.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol?
2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol has a molecular weight of 252.18 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 15072751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).