4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol

C15H22F6O2 — CID 2782224

IUPAC4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(C(C2CCC(O)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H22F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h9-12,22-23H,1-8H2
InChIKeyXBRXKVAMKXNNGX-UHFFFAOYSA-N
MW348.33 g/mol
LogP4.20
Rot. Bonds2

About 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol

4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol (PubChem CID 2782224) has the molecular formula C15H22F6O2 and a molecular weight of 348.33 g/mol. Its IUPAC name is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
PubChem CID2782224
Molecular FormulaC15H22F6O2
Molecular Weight348.33 g/mol
Exact Mass348.15
IUPAC Name4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
SMILESOC1CCC(C(C2CCC(O)CC2)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H22F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h9-12,22-23H,1-8H2
InChIKeyXBRXKVAMKXNNGX-UHFFFAOYSA-N
XLogP4.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The IUPAC name of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol (CID 2782224) is 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol is OC1CCC(C(C2CCC(O)CC2)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
The InChIKey is XBRXKVAMKXNNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h9-12,22-23H,1-8H2.
What are the key properties of 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol?
4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol has a molecular weight of 348.33 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 2782224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).