(3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane

C15H25FO2 — CID 134270906

IUPAC(3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
SMILESCC(C)=CCOC(C)(C)C1CC(F)CC[C@]12CO2
InChIInChI=1S/C15H25FO2/c1-11(2)6-8-17-14(3,4)13-9-12(16)5-7-15(13)10-18-15/h6,12-13H,5,7-10H2,1-4H3/t12?,13?,15-/m0/s1
InChIKeyYDWNINUSYDEMPI-PIMMBPRGSA-N
MW256.36 g/mol
LogP3.65
Rot. Bonds4

About (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane

(3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane (PubChem CID 134270906) has the molecular formula C15H25FO2 and a molecular weight of 256.36 g/mol. Its IUPAC name is (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name(3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
PubChem CID134270906
Molecular FormulaC15H25FO2
Molecular Weight256.36 g/mol
Exact Mass256.18
IUPAC Name(3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane
SMILESCC(C)=CCOC(C)(C)C1CC(F)CC[C@]12CO2
InChIInChI=1S/C15H25FO2/c1-11(2)6-8-17-14(3,4)13-9-12(16)5-7-15(13)10-18-15/h6,12-13H,5,7-10H2,1-4H3/t12?,13?,15-/m0/s1
InChIKeyYDWNINUSYDEMPI-PIMMBPRGSA-N
XLogP3.65
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
The IUPAC name of (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane (CID 134270906) is (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane.
What is the SMILES notation for (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
The canonical SMILES for (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane is CC(C)=CCOC(C)(C)C1CC(F)CC[C@]12CO2.
What is the InChIKey of (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
The InChIKey is YDWNINUSYDEMPI-PIMMBPRGSA-N. The full InChI is InChI=1S/C15H25FO2/c1-11(2)6-8-17-14(3,4)13-9-12(16)5-7-15(13)10-18-15/h6,12-13H,5,7-10H2,1-4H3/t12?,13?,15-/m0/s1.
What are the key properties of (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane?
(3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane has a molecular weight of 256.36 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-fluoro-4-[2-(3-methylbut-2-enoxy)propan-2-yl]-1-oxaspiro[2.5]octane is sourced from PubChem (CID 134270906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).