2-[(Z)-3-fluorobut-2-enoxy]oxane

C9H15FO2 — CID 90381677

IUPAC2-[(Z)-3-fluorobut-2-enoxy]oxane
SMILESC/C(F)=C/COC1CCCCO1
InChIInChI=1S/C9H15FO2/c1-8(10)5-7-12-9-4-2-3-6-11-9/h5,9H,2-4,6-7H2,1H3/b8-5-
InChIKeyLWUHSQMSHKMDRS-YVMONPNESA-N
MW174.22 g/mol
LogP2.40
Rot. Bonds3

About 2-[(Z)-3-fluorobut-2-enoxy]oxane

2-[(Z)-3-fluorobut-2-enoxy]oxane (PubChem CID 90381677) has the molecular formula C9H15FO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is 2-[(Z)-3-fluorobut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-3-fluorobut-2-enoxy]oxane
PubChem CID90381677
Molecular FormulaC9H15FO2
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Name2-[(Z)-3-fluorobut-2-enoxy]oxane
SMILESC/C(F)=C/COC1CCCCO1
InChIInChI=1S/C9H15FO2/c1-8(10)5-7-12-9-4-2-3-6-11-9/h5,9H,2-4,6-7H2,1H3/b8-5-
InChIKeyLWUHSQMSHKMDRS-YVMONPNESA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-fluorobut-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-3-fluorobut-2-enoxy]oxane (CID 90381677) is 2-[(Z)-3-fluorobut-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-3-fluorobut-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-3-fluorobut-2-enoxy]oxane is C/C(F)=C/COC1CCCCO1.
What is the InChIKey of 2-[(Z)-3-fluorobut-2-enoxy]oxane?
The InChIKey is LWUHSQMSHKMDRS-YVMONPNESA-N. The full InChI is InChI=1S/C9H15FO2/c1-8(10)5-7-12-9-4-2-3-6-11-9/h5,9H,2-4,6-7H2,1H3/b8-5-.
What are the key properties of 2-[(Z)-3-fluorobut-2-enoxy]oxane?
2-[(Z)-3-fluorobut-2-enoxy]oxane has a molecular weight of 174.22 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-fluorobut-2-enoxy]oxane is sourced from PubChem (CID 90381677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).