2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane

C17H23FO2 — CID 57010771

IUPAC2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane
SMILESCC(F)=C[C@H](COC1CCCCO1)Cc1ccccc1
InChIInChI=1S/C17H23FO2/c1-14(18)11-16(12-15-7-3-2-4-8-15)13-20-17-9-5-6-10-19-17/h2-4,7-8,11,16-17H,5-6,9-10,12-13H2,1H3/t16-,17?/m0/s1
InChIKeyYDVIIDQSJKMRHA-BHWOMJMDSA-N
MW278.37 g/mol
LogP4.26
Rot. Bonds6

About 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane

2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane (PubChem CID 57010771) has the molecular formula C17H23FO2 and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane.

Molecular Properties

Compound Name2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane
PubChem CID57010771
Molecular FormulaC17H23FO2
Molecular Weight278.37 g/mol
Exact Mass278.17
IUPAC Name2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane
SMILESCC(F)=C[C@H](COC1CCCCO1)Cc1ccccc1
InChIInChI=1S/C17H23FO2/c1-14(18)11-16(12-15-7-3-2-4-8-15)13-20-17-9-5-6-10-19-17/h2-4,7-8,11,16-17H,5-6,9-10,12-13H2,1H3/t16-,17?/m0/s1
InChIKeyYDVIIDQSJKMRHA-BHWOMJMDSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane?
The IUPAC name of 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane (CID 57010771) is 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane.
What is the SMILES notation for 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane?
The canonical SMILES for 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane is CC(F)=C[C@H](COC1CCCCO1)Cc1ccccc1.
What is the InChIKey of 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane?
The InChIKey is YDVIIDQSJKMRHA-BHWOMJMDSA-N. The full InChI is InChI=1S/C17H23FO2/c1-14(18)11-16(12-15-7-3-2-4-8-15)13-20-17-9-5-6-10-19-17/h2-4,7-8,11,16-17H,5-6,9-10,12-13H2,1H3/t16-,17?/m0/s1.
What are the key properties of 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane?
2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane has a molecular weight of 278.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-benzyl-4-fluoropent-3-enoxy]oxane is sourced from PubChem (CID 57010771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).