(2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane

C10H18FIO2 — CID 58349947

IUPAC(2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane
SMILESCC[C@H]1[C@@H](OC)O[C@H](CI)[C@H](F)[C@@H]1C
InChIInChI=1S/C10H18FIO2/c1-4-7-6(2)9(11)8(5-12)14-10(7)13-3/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9-,10+/m1/s1
InChIKeyHBCFHEXTPLFSAC-IGORNWKESA-N
MW316.15 g/mol
LogP2.79
Rot. Bonds3

About (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane

(2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane (PubChem CID 58349947) has the molecular formula C10H18FIO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane.

Molecular Properties

Compound Name(2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane
PubChem CID58349947
Molecular FormulaC10H18FIO2
Molecular Weight316.15 g/mol
Exact Mass316.03
IUPAC Name(2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane
SMILESCC[C@H]1[C@@H](OC)O[C@H](CI)[C@H](F)[C@@H]1C
InChIInChI=1S/C10H18FIO2/c1-4-7-6(2)9(11)8(5-12)14-10(7)13-3/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9-,10+/m1/s1
InChIKeyHBCFHEXTPLFSAC-IGORNWKESA-N
XLogP2.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane?
The IUPAC name of (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane (CID 58349947) is (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane.
What is the SMILES notation for (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane?
The canonical SMILES for (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane is CC[C@H]1[C@@H](OC)O[C@H](CI)[C@H](F)[C@@H]1C.
What is the InChIKey of (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane?
The InChIKey is HBCFHEXTPLFSAC-IGORNWKESA-N. The full InChI is InChI=1S/C10H18FIO2/c1-4-7-6(2)9(11)8(5-12)14-10(7)13-3/h6-10H,4-5H2,1-3H3/t6-,7-,8-,9-,10+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane?
(2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane has a molecular weight of 316.15 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6S)-5-ethyl-3-fluoro-2-(iodomethyl)-6-methoxy-4-methyloxane is sourced from PubChem (CID 58349947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).