3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid

C17H13F3O4 — CID 59492479

IUPAC3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid
SMILESO=C(O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O4/c18-17(19,20)16(23)13-4-2-1-3-11(13)12-6-5-10(9-14(12)16)24-8-7-15(21)22/h1-6,9,23H,7-8H2,(H,21,22)
InChIKeyMOFYUSQUIPSQEA-UHFFFAOYSA-N
MW338.28 g/mol
LogP3.32
Rot. Bonds4

About 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid

3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid (PubChem CID 59492479) has the molecular formula C17H13F3O4 and a molecular weight of 338.28 g/mol. Its IUPAC name is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid
PubChem CID59492479
Molecular FormulaC17H13F3O4
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Name3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid
SMILESO=C(O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2
InChIInChI=1S/C17H13F3O4/c18-17(19,20)16(23)13-4-2-1-3-11(13)12-6-5-10(9-14(12)16)24-8-7-15(21)22/h1-6,9,23H,7-8H2,(H,21,22)
InChIKeyMOFYUSQUIPSQEA-UHFFFAOYSA-N
XLogP3.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
The IUPAC name of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid (CID 59492479) is 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid.
What is the SMILES notation for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
The canonical SMILES for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid is O=C(O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2.
What is the InChIKey of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
The InChIKey is MOFYUSQUIPSQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O4/c18-17(19,20)16(23)13-4-2-1-3-11(13)12-6-5-10(9-14(12)16)24-8-7-15(21)22/h1-6,9,23H,7-8H2,(H,21,22).
What are the key properties of 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid?
3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid has a molecular weight of 338.28 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]oxypropanoic acid is sourced from PubChem (CID 59492479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).