4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid

C10H8F4O4 — CID 107014268

IUPAC4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1OCC(O)C(F)(F)F
InChIInChI=1S/C10H8F4O4/c11-5-1-2-6(9(16)17)7(3-5)18-4-8(15)10(12,13)14/h1-3,8,15H,4H2,(H,16,17)
InChIKeyBYOYOEPAZMJTQS-UHFFFAOYSA-N
MW268.16 g/mol
LogP1.83
Rot. Bonds4

About 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid

4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid (PubChem CID 107014268) has the molecular formula C10H8F4O4 and a molecular weight of 268.16 g/mol. Its IUPAC name is 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
PubChem CID107014268
Molecular FormulaC10H8F4O4
Molecular Weight268.16 g/mol
Exact Mass268.04
IUPAC Name4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
SMILESO=C(O)c1ccc(F)cc1OCC(O)C(F)(F)F
InChIInChI=1S/C10H8F4O4/c11-5-1-2-6(9(16)17)7(3-5)18-4-8(15)10(12,13)14/h1-3,8,15H,4H2,(H,16,17)
InChIKeyBYOYOEPAZMJTQS-UHFFFAOYSA-N
XLogP1.83
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-(2-hydroxy-3-propan-2-yloxypropoxy)benzoic acid
CID 107014327
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
4-fluoro-2-(2-methylpentoxy)benzoic acid
CID 107014556
2-methyl-3-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 82827437
4-fluoro-2-[(3-fluorophenyl)methoxy]benzoic acid
CID 107014381
2-(2,3-dihydroxypropoxy)-5-fluorobenzoic acid
CID 82843214
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
4-fluoro-2-[(4-propan-2-ylphenyl)methoxy]benzoic acid
CID 107014367
5-fluoro-2-(2-hydroxy-2-phenylethoxy)benzoic acid
CID 115298042
2-[2-(azetidin-1-yl)-2-oxoethoxy]-4-fluorobenzoic acid
CID 107014541

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid?
The IUPAC name of 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid (CID 107014268) is 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid?
The canonical SMILES for 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid is O=C(O)c1ccc(F)cc1OCC(O)C(F)(F)F.
What is the InChIKey of 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid?
The InChIKey is BYOYOEPAZMJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O4/c11-5-1-2-6(9(16)17)7(3-5)18-4-8(15)10(12,13)14/h1-3,8,15H,4H2,(H,16,17).
What are the key properties of 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid?
4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid has a molecular weight of 268.16 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid is sourced from PubChem (CID 107014268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).