1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane

C19H26F12O4 — CID 89363110

IUPAC1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
SMILESCCOCCOC(C1CCC(C(OCOCC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H26F12O4/c1-3-32-9-10-34-14(16(20,21)22,17(23,24)25)12-5-7-13(8-6-12)15(18(26,27)28,19(29,30)31)35-11-33-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFTXHWTNJWUCIIK-UHFFFAOYSA-N
MW546.39 g/mol
LogP6.58
Rot. Bonds11

About 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane

1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane (PubChem CID 89363110) has the molecular formula C19H26F12O4 and a molecular weight of 546.39 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
PubChem CID89363110
Molecular FormulaC19H26F12O4
Molecular Weight546.39 g/mol
Exact Mass546.16
IUPAC Name1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
SMILESCCOCCOC(C1CCC(C(OCOCC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H26F12O4/c1-3-32-9-10-34-14(16(20,21)22,17(23,24)25)12-5-7-13(8-6-12)15(18(26,27)28,19(29,30)31)35-11-33-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFTXHWTNJWUCIIK-UHFFFAOYSA-N
XLogP6.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.39
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
The IUPAC name of 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane (CID 89363110) is 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane is CCOCCOC(C1CCC(C(OCOCC)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
The InChIKey is FTXHWTNJWUCIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F12O4/c1-3-32-9-10-34-14(16(20,21)22,17(23,24)25)12-5-7-13(8-6-12)15(18(26,27)28,19(29,30)31)35-11-33-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane?
1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane has a molecular weight of 546.39 g/mol, XLogP of 6.58, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane is sourced from PubChem (CID 89363110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).