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

C7H9F3O2 — CID 102654858

IUPAC(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
SMILESO[C@@H](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/t6-/m0/s1
InChIKeyYYBVOLYEIFFZAY-LURJTMIESA-N
MW182.14 g/mol
LogP1.60
Rot. Bonds1

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

(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol (PubChem CID 102654858) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
PubChem CID102654858
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
SMILESO[C@@H](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/t6-/m0/s1
InChIKeyYYBVOLYEIFFZAY-LURJTMIESA-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 (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
The IUPAC name of (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol (CID 102654858) is (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol is O[C@@H](C1=CCCCO1)C(F)(F)F.
What is the InChIKey of (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
The InChIKey is YYBVOLYEIFFZAY-LURJTMIESA-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/t6-/m0/s1.
What are the key properties of (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol?
(1S)-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 (1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 102654858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).