2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine

C8H12F2O2 — CID 20649605

IUPAC2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine
SMILESCC1=CCOC(C)(F)C(C)(F)O1
InChIInChI=1S/C8H12F2O2/c1-6-4-5-11-7(2,9)8(3,10)12-6/h4H,5H2,1-3H3
InChIKeyXZGGFOQQYYJHNM-UHFFFAOYSA-N
MW178.18 g/mol
LogP2.31
Rot. Bonds

About 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine

2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine (PubChem CID 20649605) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine.

Molecular Properties

Compound Name2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine
PubChem CID20649605
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine
SMILESCC1=CCOC(C)(F)C(C)(F)O1
InChIInChI=1S/C8H12F2O2/c1-6-4-5-11-7(2,9)8(3,10)12-6/h4H,5H2,1-3H3
InChIKeyXZGGFOQQYYJHNM-UHFFFAOYSA-N
XLogP2.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6Z)-2,3-difluoro-2,3-dimethyl-5,8-dihydro-1,4-dioxocine
CID 18335871
(3E)-2-(2-fluoroethoxy)-3-methoxypenta-1,3-diene
CID 90061486
3,4-Diethoxy-2-fluorohexa-2,4-diene
CID 123318263
2-(2-Fluoroethoxy)-3-methoxypenta-1,3-diene
CID 123737328
(3Z)-2-fluoro-5-(2-methoxyethoxy)hexa-1,3,5-triene
CID 143331079
(1Z,3E,5E)-1-fluoro-3-(2-methoxyethoxy)hepta-1,3,5-triene
CID 145275908
(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
CID 169134592
7-Methyl-2,3-dihydro-5H-1,4-dioxepine
CID 536093
Carbon monoxide;(7-methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
CID 11141228
ethane;(3Z,5E)-6-fluoro-4-(2-methoxyethoxy)hepta-1,3,5-triene
CID 169134591
(7-Methyl-2,3-dihydro-1,4-dioxepin-5-ylidene)chromium
CID 11141229
3,5-Difluoro-2-(2-ethoxyethoxy)phenylmagnesium bromide, 0.5M in THF
CID 91655450

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine?
The IUPAC name of 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine (CID 20649605) is 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine.
What is the SMILES notation for 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine?
The canonical SMILES for 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine is CC1=CCOC(C)(F)C(C)(F)O1.
What is the InChIKey of 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine?
The InChIKey is XZGGFOQQYYJHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-6-4-5-11-7(2,9)8(3,10)12-6/h4H,5H2,1-3H3.
What are the key properties of 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine?
2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine has a molecular weight of 178.18 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2,3,7-trimethyl-5H-1,4-dioxepine is sourced from PubChem (CID 20649605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).