1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol

C18H16F6O2 — CID 89211813

IUPAC1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
SMILESCC(O)(c1cccc(-c2cccc(C(C)(O)C(F)(F)F)c2)c1)C(F)(F)F
InChIInChI=1S/C18H16F6O2/c1-15(25,17(19,20)21)13-7-3-5-11(9-13)12-6-4-8-14(10-12)16(2,26)18(22,23)24/h3-10,25-26H,1-2H3
InChIKeyGHFOYRNCLBNZIU-UHFFFAOYSA-N
MW378.31 g/mol
LogP4.89
Rot. Bonds3

About 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol

1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol (PubChem CID 89211813) has the molecular formula C18H16F6O2 and a molecular weight of 378.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
PubChem CID89211813
Molecular FormulaC18H16F6O2
Molecular Weight378.31 g/mol
Exact Mass378.11
IUPAC Name1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
SMILESCC(O)(c1cccc(-c2cccc(C(C)(O)C(F)(F)F)c2)c1)C(F)(F)F
InChIInChI=1S/C18H16F6O2/c1-15(25,17(19,20)21)13-7-3-5-11(9-13)12-6-4-8-14(10-12)16(2,26)18(22,23)24/h3-10,25-26H,1-2H3
InChIKeyGHFOYRNCLBNZIU-UHFFFAOYSA-N
XLogP4.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol (CID 89211813) is 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol is CC(O)(c1cccc(-c2cccc(C(C)(O)C(F)(F)F)c2)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol?
The InChIKey is GHFOYRNCLBNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6O2/c1-15(25,17(19,20)21)13-7-3-5-11(9-13)12-6-4-8-14(10-12)16(2,26)18(22,23)24/h3-10,25-26H,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol?
1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol has a molecular weight of 378.31 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 89211813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).