2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid

C17H10F8O4 — CID 164747113

IUPAC2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid
SMILESO=C(O)C(F)(F)Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H10F8O4/c18-15(19,13(27)28)29-12-7-3-10(4-8-12)14(16(20,21)22,17(23,24)25)9-1-5-11(26)6-2-9/h1-8,26H,(H,27,28)
InChIKeyHHSPTDPFPSGASZ-UHFFFAOYSA-N
MW430.25 g/mol
LogP4.86
Rot. Bonds5

About 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid

2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid (PubChem CID 164747113) has the molecular formula C17H10F8O4 and a molecular weight of 430.25 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid
PubChem CID164747113
Molecular FormulaC17H10F8O4
Molecular Weight430.25 g/mol
Exact Mass430.05
IUPAC Name2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid
SMILESO=C(O)C(F)(F)Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C17H10F8O4/c18-15(19,13(27)28)29-12-7-3-10(4-8-12)14(16(20,21)22,17(23,24)25)9-1-5-11(26)6-2-9/h1-8,26H,(H,27,28)
InChIKeyHHSPTDPFPSGASZ-UHFFFAOYSA-N
XLogP4.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid (CID 164747113) is 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid is O=C(O)C(F)(F)Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid?
The InChIKey is HHSPTDPFPSGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F8O4/c18-15(19,13(27)28)29-12-7-3-10(4-8-12)14(16(20,21)22,17(23,24)25)9-1-5-11(26)6-2-9/h1-8,26H,(H,27,28).
What are the key properties of 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid?
2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid has a molecular weight of 430.25 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid is sourced from PubChem (CID 164747113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).