2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane

C10H10F10O — CID 18710874

IUPAC2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane
SMILESFC(F)C(F)(F)OC1C(C(F)(F)F)CCCC1C(F)(F)F
InChIInChI=1S/C10H10F10O/c11-7(12)10(19,20)21-6-4(8(13,14)15)2-1-3-5(6)9(16,17)18/h4-7H,1-3H2
InChIKeyFWIUJAJQCNZJTO-UHFFFAOYSA-N
MW336.17 g/mol
LogP4.77
Rot. Bonds3

About 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane

2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane (PubChem CID 18710874) has the molecular formula C10H10F10O and a molecular weight of 336.17 g/mol. Its IUPAC name is 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane
PubChem CID18710874
Molecular FormulaC10H10F10O
Molecular Weight336.17 g/mol
Exact Mass336.06
IUPAC Name2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane
SMILESFC(F)C(F)(F)OC1C(C(F)(F)F)CCCC1C(F)(F)F
InChIInChI=1S/C10H10F10O/c11-7(12)10(19,20)21-6-4(8(13,14)15)2-1-3-5(6)9(16,17)18/h4-7H,1-3H2
InChIKeyFWIUJAJQCNZJTO-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 54.77
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 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
The IUPAC name of 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane (CID 18710874) is 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane.
What is the SMILES notation for 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
The canonical SMILES for 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane is FC(F)C(F)(F)OC1C(C(F)(F)F)CCCC1C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
The InChIKey is FWIUJAJQCNZJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10O/c11-7(12)10(19,20)21-6-4(8(13,14)15)2-1-3-5(6)9(16,17)18/h4-7H,1-3H2.
What are the key properties of 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane?
2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane has a molecular weight of 336.17 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2-tetrafluoroethoxy)-1,3-bis(trifluoromethyl)cyclohexane is sourced from PubChem (CID 18710874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).