1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol

C7H9F3O2 — CID 102649731

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
SMILESOC(C1=CCCCO1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h3,6,11H,1-2,4H2
InChIKeyYYBVOLYEIFFZAY-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.60
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol

1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol (PubChem CID 102649731) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
PubChem CID102649731
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
SMILESOC(C1=CCCCO1)C(F)(F)F
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h3,6,11H,1-2,4H2
InChIKeyYYBVOLYEIFFZAY-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol (CID 102649731) is 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol is OC(C1=CCCCO1)C(F)(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
The InChIKey is YYBVOLYEIFFZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)6(11)5-3-1-2-4-12-5/h3,6,11H,1-2,4H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol has a molecular weight of 182.14 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 102649731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).