(2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane

C14H25FO2 — CID 176612739

IUPAC(2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane
SMILESC=C[C@@]1(F)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H25FO2/c1-7-14(15)12(10(4)5)17-11(8-9(2)3)13(14)16-6/h7,9-13H,1,8H2,2-6H3/t11-,12+,13-,14+/m1/s1
InChIKeyWIMMSMSKLQVOJD-RQJABVFESA-N
MW244.35 g/mol
LogP3.37
Rot. Bonds5

About (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane

(2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane (PubChem CID 176612739) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane.

Molecular Properties

Compound Name(2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane
PubChem CID176612739
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name(2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane
SMILESC=C[C@@]1(F)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H25FO2/c1-7-14(15)12(10(4)5)17-11(8-9(2)3)13(14)16-6/h7,9-13H,1,8H2,2-6H3/t11-,12+,13-,14+/m1/s1
InChIKeyWIMMSMSKLQVOJD-RQJABVFESA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
The IUPAC name of (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane (CID 176612739) is (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane.
What is the SMILES notation for (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
The canonical SMILES for (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane is C=C[C@@]1(F)[C@H](OC)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
The InChIKey is WIMMSMSKLQVOJD-RQJABVFESA-N. The full InChI is InChI=1S/C14H25FO2/c1-7-14(15)12(10(4)5)17-11(8-9(2)3)13(14)16-6/h7,9-13H,1,8H2,2-6H3/t11-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane?
(2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane has a molecular weight of 244.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-3-ethenyl-3-fluoro-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolane is sourced from PubChem (CID 176612739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).