1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene

C14H20F4O — CID 90967116

IUPAC1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene
SMILESCCCC=CCOC1C(F)C(F)=C(CC)C(F)C1F
InChIInChI=1S/C14H20F4O/c1-3-5-6-7-8-19-14-12(17)10(15)9(4-2)11(16)13(14)18/h6-7,10,12-14H,3-5,8H2,1-2H3
InChIKeySPOSUWXIVSSRPC-UHFFFAOYSA-N
MW280.31 g/mol
LogP4.39
Rot. Bonds6

About 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene

1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene (PubChem CID 90967116) has the molecular formula C14H20F4O and a molecular weight of 280.31 g/mol. Its IUPAC name is 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene.

Molecular Properties

Compound Name1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene
PubChem CID90967116
Molecular FormulaC14H20F4O
Molecular Weight280.31 g/mol
Exact Mass280.15
IUPAC Name1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene
SMILESCCCC=CCOC1C(F)C(F)=C(CC)C(F)C1F
InChIInChI=1S/C14H20F4O/c1-3-5-6-7-8-19-14-12(17)10(15)9(4-2)11(16)13(14)18/h6-7,10,12-14H,3-5,8H2,1-2H3
InChIKeySPOSUWXIVSSRPC-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene?
The IUPAC name of 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene (CID 90967116) is 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene.
What is the SMILES notation for 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene?
The canonical SMILES for 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene is CCCC=CCOC1C(F)C(F)=C(CC)C(F)C1F.
What is the InChIKey of 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene?
The InChIKey is SPOSUWXIVSSRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4O/c1-3-5-6-7-8-19-14-12(17)10(15)9(4-2)11(16)13(14)18/h6-7,10,12-14H,3-5,8H2,1-2H3.
What are the key properties of 1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene?
1-ethyl-2,3,5,6-tetrafluoro-4-hex-2-enoxycyclohexene has a molecular weight of 280.31 g/mol, XLogP of 4.39, 6 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-hex-2-enoxycyclohexene is sourced from PubChem (CID 90967116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).