2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C16H18F12O3 — CID 58776672

IUPAC2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=COCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H18F12O3/c1-2-30-7-8-31-12(15(23,24)25,16(26,27)28)10-5-3-9(4-6-10)11(29,13(17,18)19)14(20,21)22/h2,9-10,29H,1,3-8H2
InChIKeyCCOWYDFHRVRZRP-UHFFFAOYSA-N
MW486.29 g/mol
LogP5.69
Rot. Bonds7

About 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58776672) has the molecular formula C16H18F12O3 and a molecular weight of 486.29 g/mol. Its IUPAC name is 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58776672
Molecular FormulaC16H18F12O3
Molecular Weight486.29 g/mol
Exact Mass486.11
IUPAC Name2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=COCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H18F12O3/c1-2-30-7-8-31-12(15(23,24)25,16(26,27)28)10-5-3-9(4-6-10)11(29,13(17,18)19)14(20,21)22/h2,9-10,29H,1,3-8H2
InChIKeyCCOWYDFHRVRZRP-UHFFFAOYSA-N
XLogP5.69
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.29
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58776672) is 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C=COCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is CCOWYDFHRVRZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F12O3/c1-2-30-7-8-31-12(15(23,24)25,16(26,27)28)10-5-3-9(4-6-10)11(29,13(17,18)19)14(20,21)22/h2,9-10,29H,1,3-8H2.
What are the key properties of 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 486.29 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-ethenoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58776672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).