5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane

C10H18F2O2 — CID 70383250

IUPAC5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane
SMILESCC(F)C1OC(C)C(C)OCC1CF
InChIInChI=1S/C10H18F2O2/c1-6(12)10-9(4-11)5-13-7(2)8(3)14-10/h6-10H,4-5H2,1-3H3
InChIKeyLQQWMDKNPSXJQT-UHFFFAOYSA-N
MW208.25 g/mol
LogP2.12
Rot. Bonds2

About 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane

5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane (PubChem CID 70383250) has the molecular formula C10H18F2O2 and a molecular weight of 208.25 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane.

Molecular Properties

Compound Name5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane
PubChem CID70383250
Molecular FormulaC10H18F2O2
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane
SMILESCC(F)C1OC(C)C(C)OCC1CF
InChIInChI=1S/C10H18F2O2/c1-6(12)10-9(4-11)5-13-7(2)8(3)14-10/h6-10H,4-5H2,1-3H3
InChIKeyLQQWMDKNPSXJQT-UHFFFAOYSA-N
XLogP2.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane?
The IUPAC name of 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane (CID 70383250) is 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane.
What is the SMILES notation for 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane?
The canonical SMILES for 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane is CC(F)C1OC(C)C(C)OCC1CF.
What is the InChIKey of 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane?
The InChIKey is LQQWMDKNPSXJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O2/c1-6(12)10-9(4-11)5-13-7(2)8(3)14-10/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane?
5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane has a molecular weight of 208.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane is sourced from PubChem (CID 70383250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).