2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane

C9H14ClFO2 — CID 19752481

IUPAC2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane
SMILESF/C(=C\CCl)COC1CCCCO1
InChIInChI=1S/C9H14ClFO2/c10-5-4-8(11)7-13-9-3-1-2-6-12-9/h4,9H,1-3,5-7H2/b8-4-
InChIKeyCUPJWQCHAMSLIR-YWEYNIOJSA-N
MW208.66 g/mol
LogP2.62
Rot. Bonds4

About 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane

2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane (PubChem CID 19752481) has the molecular formula C9H14ClFO2 and a molecular weight of 208.66 g/mol. Its IUPAC name is 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane.

Molecular Properties

Compound Name2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane
PubChem CID19752481
Molecular FormulaC9H14ClFO2
Molecular Weight208.66 g/mol
Exact Mass208.07
IUPAC Name2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane
SMILESF/C(=C\CCl)COC1CCCCO1
InChIInChI=1S/C9H14ClFO2/c10-5-4-8(11)7-13-9-3-1-2-6-12-9/h4,9H,1-3,5-7H2/b8-4-
InChIKeyCUPJWQCHAMSLIR-YWEYNIOJSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.66
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane?
The IUPAC name of 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane (CID 19752481) is 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane.
What is the SMILES notation for 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane?
The canonical SMILES for 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane is F/C(=C\CCl)COC1CCCCO1.
What is the InChIKey of 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane?
The InChIKey is CUPJWQCHAMSLIR-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H14ClFO2/c10-5-4-8(11)7-13-9-3-1-2-6-12-9/h4,9H,1-3,5-7H2/b8-4-.
What are the key properties of 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane?
2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane has a molecular weight of 208.66 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4-chloro-2-fluorobut-2-enoxy]oxane is sourced from PubChem (CID 19752481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).