2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid

C17H9F5O2 — CID 11484572

IUPAC2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid
SMILESO=C(O)C(F)(c1cccc2c1ccc1ccc(F)cc12)C(F)(F)F
InChIInChI=1S/C17H9F5O2/c18-10-6-4-9-5-7-12-11(13(9)8-10)2-1-3-14(12)16(19,15(23)24)17(20,21)22/h1-8H,(H,23,24)
InChIKeyGQALODRSKLWWOS-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.94
Rot. Bonds2

About 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid

2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid (PubChem CID 11484572) has the molecular formula C17H9F5O2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid
PubChem CID11484572
Molecular FormulaC17H9F5O2
Molecular Weight340.25 g/mol
Exact Mass340.05
IUPAC Name2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid
SMILESO=C(O)C(F)(c1cccc2c1ccc1ccc(F)cc12)C(F)(F)F
InChIInChI=1S/C17H9F5O2/c18-10-6-4-9-5-7-12-11(13(9)8-10)2-1-3-14(12)16(19,15(23)24)17(20,21)22/h1-8H,(H,23,24)
InChIKeyGQALODRSKLWWOS-UHFFFAOYSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid (CID 11484572) is 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid is O=C(O)C(F)(c1cccc2c1ccc1ccc(F)cc12)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid?
The InChIKey is GQALODRSKLWWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F5O2/c18-10-6-4-9-5-7-12-11(13(9)8-10)2-1-3-14(12)16(19,15(23)24)17(20,21)22/h1-8H,(H,23,24).
What are the key properties of 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid?
2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid has a molecular weight of 340.25 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(6-fluorophenanthren-1-yl)propanoic acid is sourced from PubChem (CID 11484572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).