(2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol

C13H21FO4 — CID 126746295

IUPAC(2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCC1=C([C@H](C)F)O[C@H]([C@@H]2COC(C)(C)O2)C[C@@H]1O
InChIInChI=1S/C13H21FO4/c1-7-9(15)5-10(17-12(7)8(2)14)11-6-16-13(3,4)18-11/h8-11,15H,5-6H2,1-4H3/t8-,9-,10-,11-/m0/s1
InChIKeyPNSKDPMWEUJBCS-NAKRPEOUSA-N
MW260.30 g/mol
LogP1.92
Rot. Bonds2

About (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol

(2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol (PubChem CID 126746295) has the molecular formula C13H21FO4 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol
PubChem CID126746295
Molecular FormulaC13H21FO4
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name(2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCC1=C([C@H](C)F)O[C@H]([C@@H]2COC(C)(C)O2)C[C@@H]1O
InChIInChI=1S/C13H21FO4/c1-7-9(15)5-10(17-12(7)8(2)14)11-6-16-13(3,4)18-11/h8-11,15H,5-6H2,1-4H3/t8-,9-,10-,11-/m0/s1
InChIKeyPNSKDPMWEUJBCS-NAKRPEOUSA-N
XLogP1.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol (CID 126746295) is (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol is CC1=C([C@H](C)F)O[C@H]([C@@H]2COC(C)(C)O2)C[C@@H]1O.
What is the InChIKey of (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is PNSKDPMWEUJBCS-NAKRPEOUSA-N. The full InChI is InChI=1S/C13H21FO4/c1-7-9(15)5-10(17-12(7)8(2)14)11-6-16-13(3,4)18-11/h8-11,15H,5-6H2,1-4H3/t8-,9-,10-,11-/m0/s1.
What are the key properties of (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol?
(2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 260.30 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(1S)-1-fluoroethyl]-5-methyl-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 126746295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).