5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid

C17H15F3O4 — CID 138465689

IUPAC5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid
SMILESO=C(O)CCC(c1ccc(O)cc1)(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C17H15F3O4/c18-17(19,20)16(10-9-15(23)24,11-1-5-13(21)6-2-11)12-3-7-14(22)8-4-12/h1-8,21-22H,9-10H2,(H,23,24)
InChIKeyQYSKFCKFJCMQPN-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.81
Rot. Bonds5

About 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid

5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid (PubChem CID 138465689) has the molecular formula C17H15F3O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid.

Molecular Properties

Compound Name5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid
PubChem CID138465689
Molecular FormulaC17H15F3O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid
SMILESO=C(O)CCC(c1ccc(O)cc1)(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C17H15F3O4/c18-17(19,20)16(10-9-15(23)24,11-1-5-13(21)6-2-11)12-3-7-14(22)8-4-12/h1-8,21-22H,9-10H2,(H,23,24)
InChIKeyQYSKFCKFJCMQPN-UHFFFAOYSA-N
XLogP3.81
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid?
The IUPAC name of 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid (CID 138465689) is 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid.
What is the SMILES notation for 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid?
The canonical SMILES for 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid is O=C(O)CCC(c1ccc(O)cc1)(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid?
The InChIKey is QYSKFCKFJCMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O4/c18-17(19,20)16(10-9-15(23)24,11-1-5-13(21)6-2-11)12-3-7-14(22)8-4-12/h1-8,21-22H,9-10H2,(H,23,24).
What are the key properties of 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid?
5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid has a molecular weight of 340.30 g/mol, XLogP of 3.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4,4-bis(4-hydroxyphenyl)pentanoic acid is sourced from PubChem (CID 138465689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).