2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol

C64H46ClF25O8 — CID 158681296

IUPAC2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Oc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1.OCC(Oc1ccc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1.OCC(Oc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1.OCC(Oc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF6O2.C16H11F7O2.2C16H12F6O2/c17-12-7-11(16(21,22)23)5-6-13(12)25-14(8-24)9-1-3-10(4-2-9)15(18,19)20;17-12-5-4-11(16(21,22)23)7-13(12)25-14(8-24)9-2-1-3-10(6-9)15(18,19)20;17-15(18,19)11-6-4-10(5-7-11)14(9-23)24-13-3-1-2-12(8-13)16(20,21)22;17-15(18,19)11-7-5-10(6-8-11)14(9-23)24-13-4-2-1-3-12(13)16(20,21)22/h2*1-7,14,24H,8H2;2*1-8,14,23H,9H2
InChIKeyIFDWENCMHCYZCM-UHFFFAOYSA-N
MW1453.47 g/mol
LogP20.14
Rot. Bonds16

About 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol

2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 158681296) has the molecular formula C64H46ClF25O8 and a molecular weight of 1453.47 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID158681296
Molecular FormulaC64H46ClF25O8
Molecular Weight1453.47 g/mol
Exact Mass1452.25
IUPAC Name2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol
SMILESOCC(Oc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1.OCC(Oc1ccc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1.OCC(Oc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1.OCC(Oc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF6O2.C16H11F7O2.2C16H12F6O2/c17-12-7-11(16(21,22)23)5-6-13(12)25-14(8-24)9-1-3-10(4-2-9)15(18,19)20;17-12-5-4-11(16(21,22)23)7-13(12)25-14(8-24)9-2-1-3-10(6-9)15(18,19)20;17-15(18,19)11-6-4-10(5-7-11)14(9-23)24-13-3-1-2-12(8-13)16(20,21)22;17-15(18,19)11-7-5-10(6-8-11)14(9-23)24-13-4-2-1-3-12(13)16(20,21)22/h2*1-7,14,24H,8H2;2*1-8,14,23H,9H2
InChIKeyIFDWENCMHCYZCM-UHFFFAOYSA-N
XLogP20.14
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001453.47
LogP ≤ 520.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol with MolForge

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Related Compounds

2-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol
CID 59712983
2-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol
CID 59713006
3-[2-Chloro-4-[2-(3,4-dimethylphenyl)-1-(3-fluorophenyl)ethyl]phenoxy]propane-1,2-diol
CID 67962055
5-(4-But-3-enylphenyl)-1-chloro-2-[[4-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene
CID 89475880
1-Chloro-5-[4-(4,4-difluorobut-3-enyl)phenyl]-2-[[4-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3,5-difluorophenyl]-3-fluorophenyl]-difluoromethoxy]-3-fluorobenzene
CID 89475883
1-chloro-2-[[3,5-difluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenyl]-difluoromethoxy]-3-fluoro-5-[4-[(3E)-octa-3,7-dienyl]phenyl]benzene
CID 89475884
1-Chloro-2-[[3,5-difluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]phenyl]-difluoromethoxy]-3-fluoro-5-(4-octa-3,7-dienylphenyl)benzene
CID 123375213
1-[[4-(4-But-3-enyl-2,6-difluorophenyl)-2,6-difluorophenyl]-difluoromethoxy]-4-[2-[3-chloro-5-fluoro-4-(trifluoromethoxy)phenyl]ethynyl]-5-fluoro-2-methylbenzene
CID 129036705
1-[3-(3-Chloro-4-methoxyphenyl)-2-[3-(3-chloro-4-methoxyphenyl)-1-[3-fluoro-5-(3-fluorophenoxy)phenyl]-3-methylbutan-2-yl]oxy-3-methylbutyl]-3-fluoro-5-(3-fluorophenoxy)benzene
CID 150952789
2-chloro-1-[difluoro-(4-methylcyclohexyl)methoxy]-3-fluoro-4-methylbenzene;3-chloro-1-[difluoro-(4-methylcyclohexyl)methoxy]-2-fluoro-4-methylbenzene;2-chloro-3-fluoro-1-methyl-4-[2-(4-methylcyclohexyl)ethyl]benzene;1-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-methylbenzene;1-[difluoro-(4-methylcyclohexyl)methoxy]-2,3-difluoro-4-methylbenzene;2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;2,3-difluoro-1-methyl-4-[(E)-3-(4-methylcyclohexyl)prop-2-enoxy]benzene;1-(fluoromethoxy)-4-methylcyclohexane;1-(fluoromethoxy)-4-(4-methylcyclohexyl)cyclohexane;methane;molecular hydrogen;bis(1,2,3-trifluoro-4-methylbenzene)
CID 157109291
2-Tert-butyl-5-(2-methylpropyl)phenol;2-chloro-1-fluoro-4-(2-methylpropyl)benzene;2-chloro-5-(2-methylpropyl)phenol;2-(difluoromethoxy)-1-fluoro-4-(2-methylpropyl)benzene;1-(difluoromethoxy)-3-(2-methylpropyl)benzene;1,2-difluoro-4-(2-methylpropyl)benzene;2-ethynyl-1-fluoro-4-(2-methylpropyl)benzene;1-ethynyl-3-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)-2-prop-1-ynylbenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1-(2-methylpropyl)-3-prop-1-ynylbenzene;1-(2-methylpropyl)-3-(2,2,2-trifluoroethoxy)benzene;1-(2-methylpropyl)-3-(trifluoromethoxy)benzene
CID 157210125
2-Chloro-1-fluoro-4-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;1,2-difluoro-4-methylbenzene;1,4-difluoro-2-methylbenzene;2,4-difluoro-1-methylbenzene;2-fluoro-1,4-dimethylbenzene;2-fluoro-1-methoxy-4-methylbenzene;4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxy]benzene;1-fluoro-4-(3-methylphenyl)benzene;1-methyl-3,5-bis(trifluoromethyl)benzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-methyl-2-(trifluoromethoxy)benzene;1-methyl-3-(trifluoromethoxy)benzene;1-methyl-2-(trifluoromethyl)benzene;1-methyl-3-(trifluoromethyl)benzene;1-methyl-4-(trifluoromethyl)benzene;1,2,3-trimethyl-5-(trifluoromethyl)benzene
CID 157459055

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol (CID 158681296) is 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol is OCC(Oc1cc(C(F)(F)F)ccc1F)c1cccc(C(F)(F)F)c1.OCC(Oc1ccc(C(F)(F)F)cc1Cl)c1ccc(C(F)(F)F)cc1.OCC(Oc1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1.OCC(Oc1ccccc1C(F)(F)F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is IFDWENCMHCYZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF6O2.C16H11F7O2.2C16H12F6O2/c17-12-7-11(16(21,22)23)5-6-13(12)25-14(8-24)9-1-3-10(4-2-9)15(18,19)20;17-12-5-4-11(16(21,22)23)7-13(12)25-14(8-24)9-2-1-3-10(6-9)15(18,19)20;17-15(18,19)11-6-4-10(5-7-11)14(9-23)24-13-3-1-2-12(8-13)16(20,21)22;17-15(18,19)11-7-5-10(6-8-11)14(9-23)24-13-4-2-1-3-12(13)16(20,21)22/h2*1-7,14,24H,8H2;2*1-8,14,23H,9H2.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol?
2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 1453.47 g/mol, XLogP of 20.14, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[2-fluoro-5-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]ethanol;2-[2-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol;2-[3-(trifluoromethyl)phenoxy]-2-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 158681296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).