(2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane

C10H17FO3 — CID 102299129

IUPAC(2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane
SMILESC=CCO[C@H]1[C@H](C)OC(F)C[C@@H]1OC
InChIInChI=1S/C10H17FO3/c1-4-5-13-10-7(2)14-9(11)6-8(10)12-3/h4,7-10H,1,5-6H2,2-3H3/t7-,8-,9?,10-/m0/s1
InChIKeyWDTOVUHTQXKICR-HQRIKABESA-N
MW204.24 g/mol
LogP1.68
Rot. Bonds4

About (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane

(2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane (PubChem CID 102299129) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane.

Molecular Properties

Compound Name(2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane
PubChem CID102299129
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Name(2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane
SMILESC=CCO[C@H]1[C@H](C)OC(F)C[C@@H]1OC
InChIInChI=1S/C10H17FO3/c1-4-5-13-10-7(2)14-9(11)6-8(10)12-3/h4,7-10H,1,5-6H2,2-3H3/t7-,8-,9?,10-/m0/s1
InChIKeyWDTOVUHTQXKICR-HQRIKABESA-N
XLogP1.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S,4R,6R)-3,4-bis(allyloxy)-2-((allyloxy)methyl)-6-fluorotetrahydro-2H-pyran
CID 163409542
2-(Fluoromethyl)-6-(1,1,3,3,3-pentafluoro-2-prop-2-enoxypropyl)-1,4-dioxane;1,1,1,2-tetrafluoropropane
CID 90824693
(2R)-2-fluoro-6-(prop-2-enoxymethyl)oxane
CID 132247064
4-Butoxy-2-fluoro-1-prop-2-enoxycyclohexane
CID 139472285
(2R,3S)-3-but-3-enoxy-2-(prop-2-enoxymethyl)oxane
CID 10537245
(2R,3S)-3-pent-4-enoxy-2-(prop-2-enoxymethyl)oxane
CID 10538033
(2S,3S,5S,6S)-3,5-dimethoxy-2,6-dimethyl-4-prop-2-enoxyoxane
CID 60018442
1,2-Bis(prop-2-enoxy)hexane
CID 71465048
(2S,3S,4S,5S)-3,5-dimethoxy-2-methyl-4-prop-2-enoxyoxane
CID 89160630
(2-Methoxy-3-prop-2-enoxypropoxy)cyclohexane
CID 89972901
3,4,5-Tris(prop-2-enoxy)oxane
CID 123342869
2-Methyl-3,4,5-tris(prop-2-enoxy)oxane
CID 123450794

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane?
The IUPAC name of (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane (CID 102299129) is (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane.
What is the SMILES notation for (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane?
The canonical SMILES for (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane is C=CCO[C@H]1[C@H](C)OC(F)C[C@@H]1OC.
What is the InChIKey of (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane?
The InChIKey is WDTOVUHTQXKICR-HQRIKABESA-N. The full InChI is InChI=1S/C10H17FO3/c1-4-5-13-10-7(2)14-9(11)6-8(10)12-3/h4,7-10H,1,5-6H2,2-3H3/t7-,8-,9?,10-/m0/s1.
What are the key properties of (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane?
(2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane has a molecular weight of 204.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-6-fluoro-4-methoxy-2-methyl-3-prop-2-enoxyoxane is sourced from PubChem (CID 102299129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).