1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol

C13H20F6O2 — CID 58969670

IUPAC1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
SMILESCCC(O)COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O2/c1-2-10(20)8-21-11(12(14,15)16,13(17,18)19)9-6-4-3-5-7-9/h9-10,20H,2-8H2,1H3
InChIKeyUUYGRSDWFWRRHF-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.22
Rot. Bonds5

About 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol

1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol (PubChem CID 58969670) has the molecular formula C13H20F6O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol.

Molecular Properties

Compound Name1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
PubChem CID58969670
Molecular FormulaC13H20F6O2
Molecular Weight322.29 g/mol
Exact Mass322.14
IUPAC Name1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
SMILESCCC(O)COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O2/c1-2-10(20)8-21-11(12(14,15)16,13(17,18)19)9-6-4-3-5-7-9/h9-10,20H,2-8H2,1H3
InChIKeyUUYGRSDWFWRRHF-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol?
The IUPAC name of 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol (CID 58969670) is 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol.
What is the SMILES notation for 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol?
The canonical SMILES for 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol is CCC(O)COC(C1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol?
The InChIKey is UUYGRSDWFWRRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O2/c1-2-10(20)8-21-11(12(14,15)16,13(17,18)19)9-6-4-3-5-7-9/h9-10,20H,2-8H2,1H3.
What are the key properties of 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol?
1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol has a molecular weight of 322.29 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol is sourced from PubChem (CID 58969670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).