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

C14H21FO4 — CID 126746372

IUPAC(2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCC1=C(/C=C(\C)F)[C@@H](O)C[C@H]([C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C14H21FO4/c1-8(15)5-10-9(2)18-12(6-11(10)16)13-7-17-14(3,4)19-13/h5,11-13,16H,6-7H2,1-4H3/b8-5+/t11-,12+,13-/m0/s1
InChIKeyMWONUZZHNGGORA-JHMDLYBWSA-N
MW272.32 g/mol
LogP2.43
Rot. Bonds2

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

(2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol (PubChem CID 126746372) has the molecular formula C14H21FO4 and a molecular weight of 272.32 g/mol. Its IUPAC name is (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol
PubChem CID126746372
Molecular FormulaC14H21FO4
Molecular Weight272.32 g/mol
Exact Mass272.14
IUPAC Name(2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESCC1=C(/C=C(\C)F)[C@@H](O)C[C@H]([C@@H]2COC(C)(C)O2)O1
InChIInChI=1S/C14H21FO4/c1-8(15)5-10-9(2)18-12(6-11(10)16)13-7-17-14(3,4)19-13/h5,11-13,16H,6-7H2,1-4H3/b8-5+/t11-,12+,13-/m0/s1
InChIKeyMWONUZZHNGGORA-JHMDLYBWSA-N
XLogP2.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol (CID 126746372) is (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol is CC1=C(/C=C(\C)F)[C@@H](O)C[C@H]([C@@H]2COC(C)(C)O2)O1.
What is the InChIKey of (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is MWONUZZHNGGORA-JHMDLYBWSA-N. The full InChI is InChI=1S/C14H21FO4/c1-8(15)5-10-9(2)18-12(6-11(10)16)13-7-17-14(3,4)19-13/h5,11-13,16H,6-7H2,1-4H3/b8-5+/t11-,12+,13-/m0/s1.
What are the key properties of (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol?
(2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 272.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-[(E)-2-fluoroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 126746372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).