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

C18H24F12O3 — CID 20743875

IUPAC2-[4-[2-(2-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H24F12O3/c1-3-10(2)32-8-9-33-14(17(25,26)27,18(28,29)30)12-6-4-11(5-7-12)13(31,15(19,20)21)16(22,23)24/h10-12,31H,3-9H2,1-2H3
InChIKeyZKJOMSTXXMLKMM-UHFFFAOYSA-N
MW516.36 g/mol
LogP6.34
Rot. Bonds8

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

2-[4-[2-(2-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20743875) has the molecular formula C18H24F12O3 and a molecular weight of 516.36 g/mol. Its IUPAC name is 2-[4-[2-(2-butan-2-yloxyethoxy)-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-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20743875
Molecular FormulaC18H24F12O3
Molecular Weight516.36 g/mol
Exact Mass516.15
IUPAC Name2-[4-[2-(2-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OCCOC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H24F12O3/c1-3-10(2)32-8-9-33-14(17(25,26)27,18(28,29)30)12-6-4-11(5-7-12)13(31,15(19,20)21)16(22,23)24/h10-12,31H,3-9H2,1-2H3
InChIKeyZKJOMSTXXMLKMM-UHFFFAOYSA-N
XLogP6.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.36
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(2-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

1-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-[2-(2-cyclohexylethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 20743878
2-[4-(2-Butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21020792
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(2-methylbutan-2-yloxy)cyclohexyl]propan-2-ol
CID 57777049
2-[3-Butan-2-yloxy-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 57777052
1-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-4-(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl)cyclohexane
CID 57806649
1-Ethyl-1-fluoro-3,5-dimethyl-3-(5,5,5-trifluoro-2-propan-2-yloxypentoxy)cyclohexane
CID 58107267
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
2-[3-[2-(2-Butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58820936
2-[3-(2-Butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58820953
2-[(1-Cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol
CID 58952845
1-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
CID 58969670
4-Cyclohexyl-4-ethoxy-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol
CID 59602147

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-butan-2-yloxyethoxy)-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-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20743875) is 2-[4-[2-(2-butan-2-yloxyethoxy)-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-butan-2-yloxyethoxy)-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-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)OCCOC(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-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is ZKJOMSTXXMLKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F12O3/c1-3-10(2)32-8-9-33-14(17(25,26)27,18(28,29)30)12-6-4-11(5-7-12)13(31,15(19,20)21)16(22,23)24/h10-12,31H,3-9H2,1-2H3.
What are the key properties of 2-[4-[2-(2-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-[2-(2-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 516.36 g/mol, XLogP of 6.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-butan-2-yloxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20743875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).