2-(2,2,2-trifluoroethyl)-1,3-dioxepane

C7H11F3O2 — CID 58871484

IUPAC2-(2,2,2-trifluoroethyl)-1,3-dioxepane
SMILESFC(F)(F)CC1OCCCCO1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)5-6-11-3-1-2-4-12-6/h6H,1-5H2
InChIKeyIHXMIYMQQRFHOE-UHFFFAOYSA-N
MW184.16 g/mol
LogP2.09
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-1,3-dioxepane

2-(2,2,2-trifluoroethyl)-1,3-dioxepane (PubChem CID 58871484) has the molecular formula C7H11F3O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1,3-dioxepane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1,3-dioxepane
PubChem CID58871484
Molecular FormulaC7H11F3O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Name2-(2,2,2-trifluoroethyl)-1,3-dioxepane
SMILESFC(F)(F)CC1OCCCCO1
InChIInChI=1S/C7H11F3O2/c8-7(9,10)5-6-11-3-1-2-4-12-6/h6H,1-5H2
InChIKeyIHXMIYMQQRFHOE-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dioxepane?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1,3-dioxepane (CID 58871484) is 2-(2,2,2-trifluoroethyl)-1,3-dioxepane.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1,3-dioxepane?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1,3-dioxepane is FC(F)(F)CC1OCCCCO1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1,3-dioxepane?
The InChIKey is IHXMIYMQQRFHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O2/c8-7(9,10)5-6-11-3-1-2-4-12-6/h6H,1-5H2.
What are the key properties of 2-(2,2,2-trifluoroethyl)-1,3-dioxepane?
2-(2,2,2-trifluoroethyl)-1,3-dioxepane has a molecular weight of 184.16 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1,3-dioxepane is sourced from PubChem (CID 58871484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).