2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol

C19H30F6O4 — CID 139783764

IUPAC2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol
SMILESOCCOC1CCC(C(C2CCC(OCCO)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C19H30F6O4/c20-18(21,22)17(19(23,24)25,13-1-5-15(6-2-13)28-11-9-26)14-3-7-16(8-4-14)29-12-10-27/h13-16,26-27H,1-12H2
InChIKeyYWTVJYUUERCIRK-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.23
Rot. Bonds8

About 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol

2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol (PubChem CID 139783764) has the molecular formula C19H30F6O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol
PubChem CID139783764
Molecular FormulaC19H30F6O4
Molecular Weight436.43 g/mol
Exact Mass436.20
IUPAC Name2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol
SMILESOCCOC1CCC(C(C2CCC(OCCO)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C19H30F6O4/c20-18(21,22)17(19(23,24)25,13-1-5-15(6-2-13)28-11-9-26)14-3-7-16(8-4-14)29-12-10-27/h13-16,26-27H,1-12H2
InChIKeyYWTVJYUUERCIRK-UHFFFAOYSA-N
XLogP4.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol (CID 139783764) is 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol is OCCOC1CCC(C(C2CCC(OCCO)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol?
The InChIKey is YWTVJYUUERCIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F6O4/c20-18(21,22)17(19(23,24)25,13-1-5-15(6-2-13)28-11-9-26)14-3-7-16(8-4-14)29-12-10-27/h13-16,26-27H,1-12H2.
What are the key properties of 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol?
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol has a molecular weight of 436.43 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyethanol is sourced from PubChem (CID 139783764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).