1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol

C15H13F3O2 — CID 13463093

IUPAC1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
SMILESCC(O)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3O2/c1-14(19,15(16,17)18)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10,19H,1H3
InChIKeySGFWBQLBOMZIDW-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.25
Rot. Bonds3

About 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol

1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol (PubChem CID 13463093) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
PubChem CID13463093
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol
SMILESCC(O)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F
InChIInChI=1S/C15H13F3O2/c1-14(19,15(16,17)18)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10,19H,1H3
InChIKeySGFWBQLBOMZIDW-UHFFFAOYSA-N
XLogP4.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-2-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 23528246
phenoxybenzene;propane-2,2-diol
CID 174556232
4,4-dimethyl-3-(4-phenoxyphenyl)pent-1-yn-3-ol
CID 4674155
(2S)-1,1,1-trifluoro-2-(3-methoxyphenyl)propan-2-ol
CID 166750619
bis(4-phenoxyphenyl)iodanium;1,1,1-trifluoroethane
CID 163937368
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
4-[1-(4-aminophenyl)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]aniline
CID 102043928
ethane;1,1,1-trifluoro-2-(4-sulfanylphenyl)propan-2-ol
CID 171099400
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660
1-(4-phenoxyphenyl)-1-(1H-pyrrol-2-yl)ethanol
CID 121226356
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol (CID 13463093) is 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol is CC(O)(c1ccc(Oc2ccccc2)cc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol?
The InChIKey is SGFWBQLBOMZIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-14(19,15(16,17)18)11-7-9-13(10-8-11)20-12-5-3-2-4-6-12/h2-10,19H,1H3.
What are the key properties of 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol?
1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol has a molecular weight of 282.26 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-phenoxyphenyl)propan-2-ol is sourced from PubChem (CID 13463093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).