[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane

C14H20F2O — CID 126727563

IUPAC[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C1CCCCC1
InChIInChI=1S/C14H20F2O/c1-4-17-11(3)14(16)13(15)10(2)12-8-6-5-7-9-12/h12H,2-9H2,1H3/b14-13-
InChIKeyXUUUXGWNLUBIMJ-YPKPFQOOSA-N
MW242.31 g/mol
LogP4.82
Rot. Bonds5

About [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane

[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane (PubChem CID 126727563) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane.

Molecular Properties

Compound Name[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane
PubChem CID126727563
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane
SMILESC=C(OCC)/C(F)=C(/F)C(=C)C1CCCCC1
InChIInChI=1S/C14H20F2O/c1-4-17-11(3)14(16)13(15)10(2)12-8-6-5-7-9-12/h12H,2-9H2,1H3/b14-13-
InChIKeyXUUUXGWNLUBIMJ-YPKPFQOOSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane?
The IUPAC name of [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane (CID 126727563) is [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane.
What is the SMILES notation for [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane?
The canonical SMILES for [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane is C=C(OCC)/C(F)=C(/F)C(=C)C1CCCCC1.
What is the InChIKey of [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane?
The InChIKey is XUUUXGWNLUBIMJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H20F2O/c1-4-17-11(3)14(16)13(15)10(2)12-8-6-5-7-9-12/h12H,2-9H2,1H3/b14-13-.
What are the key properties of [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane?
[(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane has a molecular weight of 242.31 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-5-ethoxy-3,4-difluorohexa-1,3,5-trien-2-yl]cyclohexane is sourced from PubChem (CID 126727563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).