3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid

C17H13F5O3 — CID 22261853

IUPAC3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(Cc1ccc(C(F)(F)F)c(F)c1)C(O)c1ccc(F)cc1
InChIInChI=1S/C17H13F5O3/c18-11-4-2-10(3-5-11)15(23)12(16(24)25)7-9-1-6-13(14(19)8-9)17(20,21)22/h1-6,8,12,15,23H,7H2,(H,24,25)
InChIKeyHDSOSBXVGPGVMM-UHFFFAOYSA-N
MW360.28 g/mol
LogP3.96
Rot. Bonds5

About 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid

3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid (PubChem CID 22261853) has the molecular formula C17H13F5O3 and a molecular weight of 360.28 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid
PubChem CID22261853
Molecular FormulaC17H13F5O3
Molecular Weight360.28 g/mol
Exact Mass360.08
IUPAC Name3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid
SMILESO=C(O)C(Cc1ccc(C(F)(F)F)c(F)c1)C(O)c1ccc(F)cc1
InChIInChI=1S/C17H13F5O3/c18-11-4-2-10(3-5-11)15(23)12(16(24)25)7-9-1-6-13(14(19)8-9)17(20,21)22/h1-6,8,12,15,23H,7H2,(H,24,25)
InChIKeyHDSOSBXVGPGVMM-UHFFFAOYSA-N
XLogP3.96
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-3-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]propanoic acid
CID 22261415
3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid
CID 22261867
3-(4-fluorophenyl)-3-hydroxy-2-[[3-(trifluoromethyl)phenyl]methyl]propanoate
CID 22261948
ethyl 2-[(4-fluorophenyl)methyl]-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 22261474
ethyl 3-(4-fluorophenyl)-3-hydroxy-2-[[4-methyl-3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]propanoate
CID 22261567
(3R,4R)-4-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-4-hydroxybutan-2-one
CID 102347185
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
3-[3-fluoro-4-(trifluoromethyl)phenyl]propanamide
CID 69353641
3-bromo-1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2-diol
CID 171860512
2-amino-3-(4-tert-butyl-3-fluorophenyl)propanoic acid
CID 84799729
ethyl 3-(3,4-difluorophenyl)-3-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]propanoate
CID 86593244
3-(diaminomethylideneamino)-3-[3-fluoro-4-(trifluoromethyl)phenyl]propanoic acid
CID 132590695

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid (CID 22261853) is 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid is O=C(O)C(Cc1ccc(C(F)(F)F)c(F)c1)C(O)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid?
The InChIKey is HDSOSBXVGPGVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5O3/c18-11-4-2-10(3-5-11)15(23)12(16(24)25)7-9-1-6-13(14(19)8-9)17(20,21)22/h1-6,8,12,15,23H,7H2,(H,24,25).
What are the key properties of 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid?
3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid has a molecular weight of 360.28 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 22261853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).