5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride

C10H17F11O2 — CID 167568225

IUPAC5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride
SMILESCCC1C=CC(OC)=CC1OC.F.FF.FF.FF.FF.FF
InChIInChI=1S/C10H16O2.5F2.FH/c1-4-8-5-6-9(11-2)7-10(8)12-3;5*1-2;/h5-8,10H,4H2,1-3H3;;;;;;1H
InChIKeyFOFUXKDPIPRIPX-UHFFFAOYSA-N
MW378.22 g/mol
LogP6.48
Rot. Bonds3

About 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride

5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride (PubChem CID 167568225) has the molecular formula C10H17F11O2 and a molecular weight of 378.22 g/mol. Its IUPAC name is 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride.

Molecular Properties

Compound Name5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride
PubChem CID167568225
Molecular FormulaC10H17F11O2
Molecular Weight378.22 g/mol
Exact Mass378.11
IUPAC Name5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride
SMILESCCC1C=CC(OC)=CC1OC.F.FF.FF.FF.FF.FF
InChIInChI=1S/C10H16O2.5F2.FH/c1-4-8-5-6-9(11-2)7-10(8)12-3;5*1-2;/h5-8,10H,4H2,1-3H3;;;;;;1H
InChIKeyFOFUXKDPIPRIPX-UHFFFAOYSA-N
XLogP6.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.22
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methoxy-6-methyl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70661534
6-Ethenyl-3-fluoro-1,5-dimethoxycyclohexa-1,3-diene
CID 91611900
(Z)-3,7-diethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxynon-4-ene
CID 147849376
(Z)-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-3,7-bis(2,2,2-trifluoroethyl)non-4-ene
CID 147941036
(Z)-3-ethyl-1,1,1,9,9,9-hexafluoro-4,6-dimethoxy-7-(2,2,2-trifluoroethyl)non-4-ene
CID 157261606
3-Fluoro-1,6-dimethyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 162553515
1-(6-Fluoro-4-methoxycyclohexa-2,4-dien-1-yl)ethanol
CID 163789143
1-[4-(Trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
CID 163893644
5-methoxy-6-methyl-1-[(3Z,5Z)-3,4,6,7-tetrafluoro-5-(5-methoxycyclohexa-1,3-dien-1-yl)oxyhepta-3,5-dien-2-yl]oxycyclohexa-1,3-diene
CID 167106220
1-Isopropenyl-2,5-dimethoxytoluene
CID 134694410
1-[6-Fluoro-4-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]ethanol
CID 162597694
5-Ethyl-2-propan-2-yloxycyclohexa-1,3-diene
CID 57019210

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride?
The IUPAC name of 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride (CID 167568225) is 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride.
What is the SMILES notation for 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride?
The canonical SMILES for 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride is CCC1C=CC(OC)=CC1OC.F.FF.FF.FF.FF.FF.
What is the InChIKey of 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride?
The InChIKey is FOFUXKDPIPRIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.5F2.FH/c1-4-8-5-6-9(11-2)7-10(8)12-3;5*1-2;/h5-8,10H,4H2,1-3H3;;;;;;1H.
What are the key properties of 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride?
5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride has a molecular weight of 378.22 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,6-dimethoxycyclohexa-1,3-diene;molecular fluorine;hydrofluoride is sourced from PubChem (CID 167568225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).