(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane

C7H11ClFIO — CID 130211644

IUPAC(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane
SMILESCC[C@H]1OC(I)[C@@](F)(Cl)[C@@H]1C
InChIInChI=1S/C7H11ClFIO/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6H,3H2,1-2H3/t4-,5-,6?,7-/m1/s1
InChIKeyLTJFTAKEOFEIBD-RARXMTEBSA-N
MW292.52 g/mol
LogP3.10
Rot. Bonds1

About (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane

(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane (PubChem CID 130211644) has the molecular formula C7H11ClFIO and a molecular weight of 292.52 g/mol. Its IUPAC name is (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane.

Molecular Properties

Compound Name(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane
PubChem CID130211644
Molecular FormulaC7H11ClFIO
Molecular Weight292.52 g/mol
Exact Mass291.95
IUPAC Name(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane
SMILESCC[C@H]1OC(I)[C@@](F)(Cl)[C@@H]1C
InChIInChI=1S/C7H11ClFIO/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6H,3H2,1-2H3/t4-,5-,6?,7-/m1/s1
InChIKeyLTJFTAKEOFEIBD-RARXMTEBSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.52
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane?
The IUPAC name of (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane (CID 130211644) is (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane.
What is the SMILES notation for (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane?
The canonical SMILES for (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane is CC[C@H]1OC(I)[C@@](F)(Cl)[C@@H]1C.
What is the InChIKey of (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane?
The InChIKey is LTJFTAKEOFEIBD-RARXMTEBSA-N. The full InChI is InChI=1S/C7H11ClFIO/c1-3-5-4(2)7(8,9)6(10)11-5/h4-6H,3H2,1-2H3/t4-,5-,6?,7-/m1/s1.
What are the key properties of (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane?
(3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane has a molecular weight of 292.52 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2-iodo-4-methyloxolane is sourced from PubChem (CID 130211644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).