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

C23H20F12O2 — CID 118531960

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol
SMILESCCC(CCc1ccc(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/C23H20F12O2/c1-2-14(15-7-11-17(12-8-15)19(37,22(30,31)32)23(33,34)35)6-3-13-4-9-16(10-5-13)18(36,20(24,25)26)21(27,28)29/h4-5,7-12,14,36-37H,2-3,6H2,1H3
InChIKeyGFJBZSRHBBKPHJ-UHFFFAOYSA-N
MW556.39 g/mol
LogP7.44
Rot. Bonds7

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

1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol (PubChem CID 118531960) has the molecular formula C23H20F12O2 and a molecular weight of 556.39 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol
PubChem CID118531960
Molecular FormulaC23H20F12O2
Molecular Weight556.39 g/mol
Exact Mass556.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol
SMILESCCC(CCc1ccc(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/C23H20F12O2/c1-2-14(15-7-11-17(12-8-15)19(37,22(30,31)32)23(33,34)35)6-3-13-4-9-16(10-5-13)18(36,20(24,25)26)21(27,28)29/h4-5,7-12,14,36-37H,2-3,6H2,1H3
InChIKeyGFJBZSRHBBKPHJ-UHFFFAOYSA-N
XLogP7.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.39
LogP ≤ 57.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-[4-(2,2,6,6-tetramethylheptan-4-yl)phenyl]propan-2-ol
CID 123480330
2-[4-(aminomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118395946
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
1,1,1,3,3-pentafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]butan-2-ol
CID 156598959
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
[4-[3-(4-propylphenyl)pentyl]phenyl] 2-methylprop-2-enoate
CID 57056990
1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]ethyl acetate
CID 87975646
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23533128
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
CID 59034872
3-(4-pentan-3-ylphenyl)propanal
CID 117292920

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol (CID 118531960) is 1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol is CCC(CCc1ccc(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-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol?
The InChIKey is GFJBZSRHBBKPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F12O2/c1-2-14(15-7-11-17(12-8-15)19(37,22(30,31)32)23(33,34)35)6-3-13-4-9-16(10-5-13)18(36,20(24,25)26)21(27,28)29/h4-5,7-12,14,36-37H,2-3,6H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol has a molecular weight of 556.39 g/mol, XLogP of 7.44, 7 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-[3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pentyl]phenyl]propan-2-ol is sourced from PubChem (CID 118531960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).