5-(2-fluorobut-2-enyl)-2,4-dimethyloxane

C11H19FO — CID 123143055

IUPAC5-(2-fluorobut-2-enyl)-2,4-dimethyloxane
SMILESCC=C(F)CC1COC(C)CC1C
InChIInChI=1S/C11H19FO/c1-4-11(12)6-10-7-13-9(3)5-8(10)2/h4,8-10H,5-7H2,1-3H3
InChIKeyWSKWPRVHCHCNMG-UHFFFAOYSA-N
MW186.27 g/mol
LogP3.31
Rot. Bonds2

About 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane

5-(2-fluorobut-2-enyl)-2,4-dimethyloxane (PubChem CID 123143055) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane.

Molecular Properties

Compound Name5-(2-fluorobut-2-enyl)-2,4-dimethyloxane
PubChem CID123143055
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name5-(2-fluorobut-2-enyl)-2,4-dimethyloxane
SMILESCC=C(F)CC1COC(C)CC1C
InChIInChI=1S/C11H19FO/c1-4-11(12)6-10-7-13-9(3)5-8(10)2/h4,8-10H,5-7H2,1-3H3
InChIKeyWSKWPRVHCHCNMG-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane?
The IUPAC name of 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane (CID 123143055) is 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane.
What is the SMILES notation for 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane?
The canonical SMILES for 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane is CC=C(F)CC1COC(C)CC1C.
What is the InChIKey of 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane?
The InChIKey is WSKWPRVHCHCNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-4-11(12)6-10-7-13-9(3)5-8(10)2/h4,8-10H,5-7H2,1-3H3.
What are the key properties of 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane?
5-(2-fluorobut-2-enyl)-2,4-dimethyloxane has a molecular weight of 186.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobut-2-enyl)-2,4-dimethyloxane is sourced from PubChem (CID 123143055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).