2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H20F6O — CID 21020793

IUPAC2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C13H20F6O/c1-3-8(2)9-4-6-10(7-5-9)11(20,12(14,15)16)13(17,18)19/h8-10,20H,3-7H2,1-2H3
InChIKeyFKVSIFJABVINJE-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.69
Rot. Bonds3

About 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21020793) has the molecular formula C13H20F6O and a molecular weight of 306.29 g/mol. Its IUPAC name is 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21020793
Molecular FormulaC13H20F6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C13H20F6O/c1-3-8(2)9-4-6-10(7-5-9)11(20,12(14,15)16)13(17,18)19/h8-10,20H,3-7H2,1-2H3
InChIKeyFKVSIFJABVINJE-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21020793) is 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is FKVSIFJABVINJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6O/c1-3-8(2)9-4-6-10(7-5-9)11(20,12(14,15)16)13(17,18)19/h8-10,20H,3-7H2,1-2H3.
What are the key properties of 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 306.29 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylcyclohexyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21020793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).