[(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate

C14H23FO5 — CID 159672029

IUPAC[(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate
SMILESCC[C@H](F)C1OC(OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H23FO5/c1-6-11(15)12-7(2)8(3)13(18-9(4)16)14(20-12)19-10(5)17/h7-8,11-14H,6H2,1-5H3/t7-,8-,11-,12?,13?,14?/m0/s1
InChIKeyYFARAMZYXYQKBX-CXHQZUKYSA-N
MW290.33 g/mol
LogP2.23
Rot. Bonds4

About [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate

[(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate (PubChem CID 159672029) has the molecular formula C14H23FO5 and a molecular weight of 290.33 g/mol. Its IUPAC name is [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate.

Molecular Properties

Compound Name[(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate
PubChem CID159672029
Molecular FormulaC14H23FO5
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name[(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate
SMILESCC[C@H](F)C1OC(OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C14H23FO5/c1-6-11(15)12-7(2)8(3)13(18-9(4)16)14(20-12)19-10(5)17/h7-8,11-14H,6H2,1-5H3/t7-,8-,11-,12?,13?,14?/m0/s1
InChIKeyYFARAMZYXYQKBX-CXHQZUKYSA-N
XLogP2.23
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate?
The IUPAC name of [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate (CID 159672029) is [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate.
What is the SMILES notation for [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate?
The canonical SMILES for [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate is CC[C@H](F)C1OC(OC(C)=O)C(OC(C)=O)[C@@H](C)[C@@H]1C.
What is the InChIKey of [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate?
The InChIKey is YFARAMZYXYQKBX-CXHQZUKYSA-N. The full InChI is InChI=1S/C14H23FO5/c1-6-11(15)12-7(2)8(3)13(18-9(4)16)14(20-12)19-10(5)17/h7-8,11-14H,6H2,1-5H3/t7-,8-,11-,12?,13?,14?/m0/s1.
What are the key properties of [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate?
[(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate has a molecular weight of 290.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-2-acetyloxy-6-[(1S)-1-fluoropropyl]-4,5-dimethyloxan-3-yl] acetate is sourced from PubChem (CID 159672029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).