CID 58534116

C18H15F5O2S — CID 58534116

IUPAC—
SMILES[CH]Oc1ccc(SCC(F)(F)COc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H15F5O2S/c1-12-9-15(7-8-16(12)24-2)26-11-17(19,20)10-25-14-5-3-13(4-6-14)18(21,22)23/h2-9H,10-11H2,1H3
InChIKeyZADLIUASGCJPFP-UHFFFAOYSA-N
MW390.37 g/mol
LogP5.87
Rot. Bonds7

About CID 58534116

CID 58534116 (PubChem CID 58534116) has the molecular formula C18H15F5O2S and a molecular weight of 390.37 g/mol.

Molecular Properties

Compound NameCID 58534116
PubChem CID58534116
Molecular FormulaC18H15F5O2S
Molecular Weight390.37 g/mol
Exact Mass390.07
IUPAC Name—
SMILES[CH]Oc1ccc(SCC(F)(F)COc2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C18H15F5O2S/c1-12-9-15(7-8-16(12)24-2)26-11-17(19,20)10-25-14-5-3-13(4-6-14)18(21,22)23/h2-9H,10-11H2,1H3
InChIKeyZADLIUASGCJPFP-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.37
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Seladelpar
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2-(2-Methyl-4-(2-((4-(trifluoromethyl)phenoxy)methyl)butylthio)phenoxy)acetic acid
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(R)-2-(2-methyl-4-(2-((4-(trifluoromethyl)phenoxy)methyl)butylthio)phenoxy)acetic acid
CID 16726113
2-(4-(2-(Ethoxymethyl)-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11155356
2-(4-(2-(Benzyloxy)-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11225910
2-[4-({3,3-Difluoro-2-[4-(trifluoromethyl)phenoxymethyl]prop-2-en-1-yl}sulfanyl)-2-methylphenoxy]acetic acid
CID 11282309
2-[2-Methyl-4-({3-methyl-2-[4-(trifluoromethyl)phenoxymethyl]but-2-en-1-yl}sulfanyl)phenoxy]acetic acid
CID 11293589
2-{2-Methyl-4-[({1-[4-(trifluoromethyl)phenoxymethyl]cyclopropyl}methyl)sulfanyl]phenoxy}acetic acid
CID 11339310
(S)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid
CID 11351266
2-(2-methyl-4-{[(2E)-3-phenyl-2-[4-(trifluoromethyl)phenoxymethyl]prop-2-en-1-yl]sulfanyl}phenoxy)acetic acid
CID 11352276
2-[4-({2,2-Difluoro-3-[4-(trifluoromethyl)phenoxy]propyl}sulfanyl)-2-methylphenoxy]acetic acid
CID 11373952
2-[2-Methyl-4-({2-propyl-2-[4-(trifluoromethyl)phenoxymethyl]pentyl}sulfanyl)phenoxy]acetic acid
CID 11397569

Frequently Asked Questions

What is the IUPAC name of CID 58534116?
The IUPAC name of CID 58534116 (CID 58534116) is not available.
What is the SMILES notation for CID 58534116?
The canonical SMILES for CID 58534116 is [CH]Oc1ccc(SCC(F)(F)COc2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of CID 58534116?
The InChIKey is ZADLIUASGCJPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5O2S/c1-12-9-15(7-8-16(12)24-2)26-11-17(19,20)10-25-14-5-3-13(4-6-14)18(21,22)23/h2-9H,10-11H2,1H3.
What are the key properties of CID 58534116?
CID 58534116 has a molecular weight of 390.37 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58534116 is sourced from PubChem (CID 58534116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).