1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene

C11H12F4O — CID 90997546

IUPAC1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene
SMILESCC=COC1=C(F)C(F)=C(CC)C(F)C1F
InChIInChI=1S/C11H12F4O/c1-3-5-16-11-9(14)7(12)6(4-2)8(13)10(11)15/h3,5,7,9H,4H2,1-2H3
InChIKeyIBUGCWMXROFLDF-UHFFFAOYSA-N
MW236.21 g/mol
LogP4.04
Rot. Bonds3

About 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene

1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene (PubChem CID 90997546) has the molecular formula C11H12F4O and a molecular weight of 236.21 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene
PubChem CID90997546
Molecular FormulaC11H12F4O
Molecular Weight236.21 g/mol
Exact Mass236.08
IUPAC Name1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene
SMILESCC=COC1=C(F)C(F)=C(CC)C(F)C1F
InChIInChI=1S/C11H12F4O/c1-3-5-16-11-9(14)7(12)6(4-2)8(13)10(11)15/h3,5,7,9H,4H2,1-2H3
InChIKeyIBUGCWMXROFLDF-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-3-methylenecyclohexene
CID 137710
1-Methoxy-4-(trifluoromethyl)cyclohexa-1,3-diene
CID 23137248
(7R)-6-ethyl-7-fluoro-3,4,7,8-tetrahydro-2H-chromene
CID 89189819
(5S)-5-fluoro-2-(4-methoxybutyl)cyclohexa-1,3-diene
CID 89318719
5-Fluoro-2-(4-methoxybutyl)cyclohexa-1,3-diene
CID 89703627
(1E,3Z)-7,7-difluoro-1-methoxy-5-methylidenecyclonona-1,3-diene
CID 122535644
7,8-difluoro-2,6-dimethyl-3,4,7,8-tetrahydro-2H-chromene
CID 124173859
1-Ethyl-4-(5,5,5-trifluoropentoxy)cyclohexa-1,3-diene
CID 129166872
1-Ethyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 129209213
2-Fluoro-1-methoxy-4-methylcyclohexa-1,3-diene
CID 130224498
5-Fluoro-1-methyl-4-(trifluoromethoxy)cyclohexa-1,3-diene
CID 132044484
2-Ethenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexoxymethylidene)cyclohexa-1,3-diene
CID 141482579

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene?
The IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene (CID 90997546) is 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene?
The canonical SMILES for 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene is CC=COC1=C(F)C(F)=C(CC)C(F)C1F.
What is the InChIKey of 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene?
The InChIKey is IBUGCWMXROFLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O/c1-3-5-16-11-9(14)7(12)6(4-2)8(13)10(11)15/h3,5,7,9H,4H2,1-2H3.
What are the key properties of 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene?
1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene has a molecular weight of 236.21 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,5,6-tetrafluoro-4-prop-1-enoxycyclohexa-1,3-diene is sourced from PubChem (CID 90997546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).