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

C16H20F12O2 — CID 21020792

IUPAC2-[4-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F12O2/c1-3-8(2)30-12(15(23,24)25,16(26,27)28)10-6-4-9(5-7-10)11(29,13(17,18)19)14(20,21)22/h8-10,29H,3-7H2,1-2H3
InChIKeyBASUIMREHWDTDJ-UHFFFAOYSA-N
MW472.31 g/mol
LogP6.33
Rot. Bonds5

About 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

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 (PubChem CID 21020792) has the molecular formula C16H20F12O2 and a molecular weight of 472.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21020792
Molecular FormulaC16H20F12O2
Molecular Weight472.31 g/mol
Exact Mass472.13
IUPAC Name2-[4-(2-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)OC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H20F12O2/c1-3-8(2)30-12(15(23,24)25,16(26,27)28)10-6-4-9(5-7-10)11(29,13(17,18)19)14(20,21)22/h8-10,29H,3-7H2,1-2H3
InChIKeyBASUIMREHWDTDJ-UHFFFAOYSA-N
XLogP6.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.31
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC(C)OC(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-butan-2-yloxy-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BASUIMREHWDTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F12O2/c1-3-8(2)30-12(15(23,24)25,16(26,27)28)10-6-4-9(5-7-10)11(29,13(17,18)19)14(20,21)22/h8-10,29H,3-7H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 472.31 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21020792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).