2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane

C15H18F2O3 — CID 10085270

IUPAC2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
SMILESC[C@H](OC1CCCCO1)[C@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C15H18F2O3/c1-10(20-14-4-2-3-7-18-14)15(9-19-15)12-6-5-11(16)8-13(12)17/h5-6,8,10,14H,2-4,7,9H2,1H3/t10-,14?,15-/m0/s1
InChIKeyPWBIMUAZFIPFKO-WAJWKUKPSA-N
MW284.30 g/mol
LogP3.12
Rot. Bonds4

About 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane

2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane (PubChem CID 10085270) has the molecular formula C15H18F2O3 and a molecular weight of 284.30 g/mol. Its IUPAC name is 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane.

Molecular Properties

Compound Name2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
PubChem CID10085270
Molecular FormulaC15H18F2O3
Molecular Weight284.30 g/mol
Exact Mass284.12
IUPAC Name2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
SMILESC[C@H](OC1CCCCO1)[C@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C15H18F2O3/c1-10(20-14-4-2-3-7-18-14)15(9-19-15)12-6-5-11(16)8-13(12)17/h5-6,8,10,14H,2-4,7,9H2,1H3/t10-,14?,15-/m0/s1
InChIKeyPWBIMUAZFIPFKO-WAJWKUKPSA-N
XLogP3.12
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane?
The IUPAC name of 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane (CID 10085270) is 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane.
What is the SMILES notation for 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane?
The canonical SMILES for 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane is C[C@H](OC1CCCCO1)[C@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane?
The InChIKey is PWBIMUAZFIPFKO-WAJWKUKPSA-N. The full InChI is InChI=1S/C15H18F2O3/c1-10(20-14-4-2-3-7-18-14)15(9-19-15)12-6-5-11(16)8-13(12)17/h5-6,8,10,14H,2-4,7,9H2,1H3/t10-,14?,15-/m0/s1.
What are the key properties of 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane?
2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane has a molecular weight of 284.30 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane is sourced from PubChem (CID 10085270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).