1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol

C12H15F9O — CID 89383559

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C12H15F9O/c1-6(10(13,14)15)7-2-4-8(5-3-7)9(22,11(16,17)18)12(19,20)21/h6-8,22H,2-5H2,1H3
InChIKeyWOCLITRFIUCBCL-UHFFFAOYSA-N
MW346.23 g/mol
LogP4.85
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol (PubChem CID 89383559) has the molecular formula C12H15F9O and a molecular weight of 346.23 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol
PubChem CID89383559
Molecular FormulaC12H15F9O
Molecular Weight346.23 g/mol
Exact Mass346.10
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol
SMILESCC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C12H15F9O/c1-6(10(13,14)15)7-2-4-8(5-3-7)9(22,11(16,17)18)12(19,20)21/h6-8,22H,2-5H2,1H3
InChIKeyWOCLITRFIUCBCL-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol (CID 89383559) is 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol is CC(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol?
The InChIKey is WOCLITRFIUCBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9O/c1-6(10(13,14)15)7-2-4-8(5-3-7)9(22,11(16,17)18)12(19,20)21/h6-8,22H,2-5H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol has a molecular weight of 346.23 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1-trifluoropropan-2-yl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 89383559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).