2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid

C17H21FO2 — CID 24945160

IUPAC2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCCC1CCC2
InChIInChI=1S/C17H21FO2/c18-15-9-7-14(8-10-15)17(11-16(19)20)12-3-1-4-13(17)6-2-5-12/h7-10,12-13H,1-6,11H2,(H,19,20)
InChIKeyFSAKMATXHVNLEI-UHFFFAOYSA-N
MW276.35 g/mol
LogP4.14
Rot. Bonds3

About 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid

2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid (PubChem CID 24945160) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid
PubChem CID24945160
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)C2CCCC1CCC2
InChIInChI=1S/C17H21FO2/c18-15-9-7-14(8-10-15)17(11-16(19)20)12-3-1-4-13(17)6-2-5-12/h7-10,12-13H,1-6,11H2,(H,19,20)
InChIKeyFSAKMATXHVNLEI-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid?
The IUPAC name of 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid (CID 24945160) is 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid.
What is the SMILES notation for 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid?
The canonical SMILES for 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)C2CCCC1CCC2.
What is the InChIKey of 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid?
The InChIKey is FSAKMATXHVNLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO2/c18-15-9-7-14(8-10-15)17(11-16(19)20)12-3-1-4-13(17)6-2-5-12/h7-10,12-13H,1-6,11H2,(H,19,20).
What are the key properties of 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid?
2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid has a molecular weight of 276.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-fluorophenyl)-9-bicyclo[3.3.1]nonanyl]acetic acid is sourced from PubChem (CID 24945160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).