(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane

C15H23FO4 — CID 163409542

IUPAC(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](F)C[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C15H23FO4/c1-4-7-17-11-13-15(19-9-6-3)12(18-8-5-2)10-14(16)20-13/h4-6,12-15H,1-3,7-11H2/t12-,13-,14+,15+/m1/s1
InChIKeyRCZQKYXGAGNVHE-KBXIAJHMSA-N
MW286.34 g/mol
LogP2.42
Rot. Bonds10

About (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane

(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane (PubChem CID 163409542) has the molecular formula C15H23FO4 and a molecular weight of 286.34 g/mol. Its IUPAC name is (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane.

Molecular Properties

Compound Name(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane
PubChem CID163409542
Molecular FormulaC15H23FO4
Molecular Weight286.34 g/mol
Exact Mass286.16
IUPAC Name(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane
SMILESC=CCOC[C@H]1O[C@H](F)C[C@@H](OCC=C)[C@@H]1OCC=C
InChIInChI=1S/C15H23FO4/c1-4-7-17-11-13-15(19-9-6-3)12(18-8-5-2)10-14(16)20-13/h4-6,12-15H,1-3,7-11H2/t12-,13-,14+,15+/m1/s1
InChIKeyRCZQKYXGAGNVHE-KBXIAJHMSA-N
XLogP2.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-2-(prop-2-enoxymethyl)-6-[(2R,3R,4S,5R,6R)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-2-yl]oxyoxane
CID 10723050
(2R,3R,4S,5R,6R)-2-bromo-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 167455087
(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-4-hydroxy-3-prop-2-enoxy-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol
CID 76961587
(2R,3R,4R)-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)-3,4-dihydro-2H-pyran
CID 56590493
(2R,3R,4S,5R,6R)-2-(2-azidoethoxy)-3,4,5-tris(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxane
CID 132604145
(3aR,6R,6aR)-2,2-dimethyl-4-prop-2-enoxy-6-(prop-2-enoxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
CID 11832466
(3S)-3,4,5-trimethoxy-2-(methoxymethyl)-6-prop-2-enoxyoxane
CID 59039688
(3S,4S,5R,6R)-3,5-bis(phenylmethoxy)-4-prop-2-enoxy-6-(prop-2-enoxymethyl)oxan-2-ol
CID 14655276
N-[(2S,3R,4R,5S,6R)-2-methoxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-yl]acetamide
CID 146018819
(2R,3R,4R,5R,6R)-2-[(2S,3S,4R,5R)-3,4-bis(prop-2-enoxy)-2,5-bis(prop-2-enoxymethyl)oxolan-2-yl]oxy-4,5-bis(prop-2-enoxy)-6-(prop-2-enoxymethyl)oxan-3-ol
CID 76961591
(3S,6R)-3,6-bis(prop-2-enoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 90211695
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane?
The IUPAC name of (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane (CID 163409542) is (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane.
What is the SMILES notation for (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane?
The canonical SMILES for (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane is C=CCOC[C@H]1O[C@H](F)C[C@@H](OCC=C)[C@@H]1OCC=C.
What is the InChIKey of (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane?
The InChIKey is RCZQKYXGAGNVHE-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H23FO4/c1-4-7-17-11-13-15(19-9-6-3)12(18-8-5-2)10-14(16)20-13/h4-6,12-15H,1-3,7-11H2/t12-,13-,14+,15+/m1/s1.
What are the key properties of (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane?
(2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane has a molecular weight of 286.34 g/mol, XLogP of 2.42, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6R)-6-fluoro-3,4-bis(prop-2-enoxy)-2-(prop-2-enoxymethyl)oxane is sourced from PubChem (CID 163409542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).