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

C12H9F7O — CID 151156434

IUPAC2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C12H9F7O/c13-10(14,11(15,16)12(17,18)19)9(20)5-7-3-1-2-4-8(7)6-9/h1-4,20H,5-6H2
InChIKeyMZINMQIYSLVILF-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.35
Rot. Bonds2

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

2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol (PubChem CID 151156434) has the molecular formula C12H9F7O and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol
PubChem CID151156434
Molecular FormulaC12H9F7O
Molecular Weight302.19 g/mol
Exact Mass302.05
IUPAC Name2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)F)Cc2ccccc2C1
InChIInChI=1S/C12H9F7O/c13-10(14,11(15,16)12(17,18)19)9(20)5-7-3-1-2-4-8(7)6-9/h1-4,20H,5-6H2
InChIKeyMZINMQIYSLVILF-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.35
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-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol?
The IUPAC name of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol (CID 151156434) is 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol is OC1(C(F)(F)C(F)(F)C(F)(F)F)Cc2ccccc2C1.
What is the InChIKey of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol?
The InChIKey is MZINMQIYSLVILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F7O/c13-10(14,11(15,16)12(17,18)19)9(20)5-7-3-1-2-4-8(7)6-9/h1-4,20H,5-6H2.
What are the key properties of 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol?
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol has a molecular weight of 302.19 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1,3-dihydroinden-2-ol is sourced from PubChem (CID 151156434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).