1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol

C11H9F5O2 — CID 63020265

IUPAC1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc2c(c1)COC2)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F5O2/c12-10(13,11(14,15)16)9(17)6-1-2-7-4-18-5-8(7)3-6/h1-3,9,17H,4-5H2
InChIKeyVJPKKCZUKQMXRS-UHFFFAOYSA-N
MW268.18 g/mol
LogP2.95
Rot. Bonds2

About 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol

1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol (PubChem CID 63020265) has the molecular formula C11H9F5O2 and a molecular weight of 268.18 g/mol. Its IUPAC name is 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol.

Molecular Properties

Compound Name1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
PubChem CID63020265
Molecular FormulaC11H9F5O2
Molecular Weight268.18 g/mol
Exact Mass268.05
IUPAC Name1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
SMILESOC(c1ccc2c(c1)COC2)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H9F5O2/c12-10(13,11(14,15)16)9(17)6-1-2-7-4-18-5-8(7)3-6/h1-3,9,17H,4-5H2
InChIKeyVJPKKCZUKQMXRS-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The IUPAC name of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol (CID 63020265) is 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol.
What is the SMILES notation for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The canonical SMILES for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol is OC(c1ccc2c(c1)COC2)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
The InChIKey is VJPKKCZUKQMXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5O2/c12-10(13,11(14,15)16)9(17)6-1-2-7-4-18-5-8(7)3-6/h1-3,9,17H,4-5H2.
What are the key properties of 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol?
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol has a molecular weight of 268.18 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydro-2-benzofuran-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol is sourced from PubChem (CID 63020265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).