2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol

C11H17F3O2 — CID 102646747

IUPAC2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C11H17F3O2/c1-10(15,6-4-7-11(12,13)14)9-5-2-3-8-16-9/h5,15H,2-4,6-8H2,1H3
InChIKeyCADCRBXOUFBLEG-UHFFFAOYSA-N
MW238.25 g/mol
LogP3.16
Rot. Bonds4

About 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol

2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol (PubChem CID 102646747) has the molecular formula C11H17F3O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol
PubChem CID102646747
Molecular FormulaC11H17F3O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1=CCCCO1
InChIInChI=1S/C11H17F3O2/c1-10(15,6-4-7-11(12,13)14)9-5-2-3-8-16-9/h5,15H,2-4,6-8H2,1H3
InChIKeyCADCRBXOUFBLEG-UHFFFAOYSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol (CID 102646747) is 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol is CC(O)(CCCC(F)(F)F)C1=CCCCO1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol?
The InChIKey is CADCRBXOUFBLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O2/c1-10(15,6-4-7-11(12,13)14)9-5-2-3-8-16-9/h5,15H,2-4,6-8H2,1H3.
What are the key properties of 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol?
2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol has a molecular weight of 238.25 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyran-6-yl)-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 102646747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).