3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane

C10H8F8O — CID 15247581

IUPAC3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane
SMILESCCOC1CC(=C(F)F)C(F)(F)C(F)(F)C1=C(F)F
InChIInChI=1S/C10H8F8O/c1-2-19-5-3-4(7(11)12)9(15,16)10(17,18)6(5)8(13)14/h5H,2-3H2,1H3
InChIKeyMQKBMMYOPBYUIY-UHFFFAOYSA-N
MW296.16 g/mol
LogP4.37
Rot. Bonds2

About 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane

3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane (PubChem CID 15247581) has the molecular formula C10H8F8O and a molecular weight of 296.16 g/mol. Its IUPAC name is 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane.

Molecular Properties

Compound Name3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane
PubChem CID15247581
Molecular FormulaC10H8F8O
Molecular Weight296.16 g/mol
Exact Mass296.04
IUPAC Name3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane
SMILESCCOC1CC(=C(F)F)C(F)(F)C(F)(F)C1=C(F)F
InChIInChI=1S/C10H8F8O/c1-2-19-5-3-4(7(11)12)9(15,16)10(17,18)6(5)8(13)14/h5H,2-3H2,1H3
InChIKeyMQKBMMYOPBYUIY-UHFFFAOYSA-N
XLogP4.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane?
The IUPAC name of 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane (CID 15247581) is 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane.
What is the SMILES notation for 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane?
The canonical SMILES for 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane is CCOC1CC(=C(F)F)C(F)(F)C(F)(F)C1=C(F)F.
What is the InChIKey of 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane?
The InChIKey is MQKBMMYOPBYUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8O/c1-2-19-5-3-4(7(11)12)9(15,16)10(17,18)6(5)8(13)14/h5H,2-3H2,1H3.
What are the key properties of 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane?
3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane has a molecular weight of 296.16 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(difluoromethylidene)-4-ethoxy-1,1,2,2-tetrafluorocyclohexane is sourced from PubChem (CID 15247581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).