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

C21H28F12O2 — CID 59850741

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol
SMILESCC(C)(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C21H28F12O2/c1-15(2,11-3-7-13(8-4-11)16(34,18(22,23)24)19(25,26)27)12-5-9-14(10-6-12)17(35,20(28,29)30)21(31,32)33/h11-14,34-35H,3-10H2,1-2H3
InChIKeyVYULSVRJSIVXRK-UHFFFAOYSA-N
MW540.43 g/mol
LogP7.34
Rot. Bonds4

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

1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol (PubChem CID 59850741) has the molecular formula C21H28F12O2 and a molecular weight of 540.43 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol
PubChem CID59850741
Molecular FormulaC21H28F12O2
Molecular Weight540.43 g/mol
Exact Mass540.19
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol
SMILESCC(C)(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C21H28F12O2/c1-15(2,11-3-7-13(8-4-11)16(34,18(22,23)24)19(25,26)27)12-5-9-14(10-6-12)17(35,20(28,29)30)21(31,32)33/h11-14,34-35H,3-10H2,1-2H3
InChIKeyVYULSVRJSIVXRK-UHFFFAOYSA-N
XLogP7.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.43
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol (CID 59850741) is 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol is CC(C)(C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol?
The InChIKey is VYULSVRJSIVXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F12O2/c1-15(2,11-3-7-13(8-4-11)16(34,18(22,23)24)19(25,26)27)12-5-9-14(10-6-12)17(35,20(28,29)30)21(31,32)33/h11-14,34-35H,3-10H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol has a molecular weight of 540.43 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]propan-2-yl]cyclohexyl]propan-2-ol is sourced from PubChem (CID 59850741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).