1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene

C17H22F4O2 — CID 118882410

IUPAC1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
SMILESC=CC1=C(F)C(F)=C(OCC2CCC(COC)CC2)C(F)C1F
InChIInChI=1S/C17H22F4O2/c1-3-12-13(18)15(20)17(16(21)14(12)19)23-9-11-6-4-10(5-7-11)8-22-2/h3,10-11,13,15H,1,4-9H2,2H3
InChIKeyYTCSWPVIXCYVFA-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.74
Rot. Bonds6

About 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene

1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene (PubChem CID 118882410) has the molecular formula C17H22F4O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
PubChem CID118882410
Molecular FormulaC17H22F4O2
Molecular Weight334.35 g/mol
Exact Mass334.16
IUPAC Name1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene
SMILESC=CC1=C(F)C(F)=C(OCC2CCC(COC)CC2)C(F)C1F
InChIInChI=1S/C17H22F4O2/c1-3-12-13(18)15(20)17(16(21)14(12)19)23-9-11-6-4-10(5-7-11)8-22-2/h3,10-11,13,15H,1,4-9H2,2H3
InChIKeyYTCSWPVIXCYVFA-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
The IUPAC name of 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene (CID 118882410) is 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene.
What is the SMILES notation for 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
The canonical SMILES for 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene is C=CC1=C(F)C(F)=C(OCC2CCC(COC)CC2)C(F)C1F.
What is the InChIKey of 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
The InChIKey is YTCSWPVIXCYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4O2/c1-3-12-13(18)15(20)17(16(21)14(12)19)23-9-11-6-4-10(5-7-11)8-22-2/h3,10-11,13,15H,1,4-9H2,2H3.
What are the key properties of 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene?
1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene has a molecular weight of 334.35 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,3,5,6-tetrafluoro-4-[[4-(methoxymethyl)cyclohexyl]methoxy]cyclohexa-1,3-diene is sourced from PubChem (CID 118882410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).