2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid

C17H17FO2 — CID 152785336

IUPAC2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3=CC(C2)C1C3
InChIInChI=1S/C17H17FO2/c18-14-3-1-12(2-4-14)17(9-16(19)20)13-6-10-5-11(8-13)15(17)7-10/h1-5,11,13,15H,6-9H2,(H,19,20)
InChIKeyRWVKIGWPHKDJDP-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.52
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid

2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid (PubChem CID 152785336) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid
PubChem CID152785336
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CC3=CC(C2)C1C3
InChIInChI=1S/C17H17FO2/c18-14-3-1-12(2-4-14)17(9-16(19)20)13-6-10-5-11(8-13)15(17)7-10/h1-5,11,13,15H,6-9H2,(H,19,20)
InChIKeyRWVKIGWPHKDJDP-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid (CID 152785336) is 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CC3=CC(C2)C1C3.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid?
The InChIKey is RWVKIGWPHKDJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c18-14-3-1-12(2-4-14)17(9-16(19)20)13-6-10-5-11(8-13)15(17)7-10/h1-5,11,13,15H,6-9H2,(H,19,20).
What are the key properties of 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid?
2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid has a molecular weight of 272.32 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-2-tricyclo[3.3.1.03,7]non-5-enyl]acetic acid is sourced from PubChem (CID 152785336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).