2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid

C15H17FO2 — CID 24945240

IUPAC2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2CCC1C2
InChIInChI=1S/C15H17FO2/c16-13-5-3-11(4-6-13)15(9-14(17)18)8-10-1-2-12(15)7-10/h3-6,10,12H,1-2,7-9H2,(H,17,18)
InChIKeyLLNOJCXJWAPFDE-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.36
Rot. Bonds3

About 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid

2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid (PubChem CID 24945240) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
PubChem CID24945240
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2CCC1C2
InChIInChI=1S/C15H17FO2/c16-13-5-3-11(4-6-13)15(9-14(17)18)8-10-1-2-12(15)7-10/h3-6,10,12H,1-2,7-9H2,(H,17,18)
InChIKeyLLNOJCXJWAPFDE-UHFFFAOYSA-N
XLogP3.36
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid (CID 24945240) is 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)CC2CCC1C2.
What is the InChIKey of 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The InChIKey is LLNOJCXJWAPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c16-13-5-3-11(4-6-13)15(9-14(17)18)8-10-1-2-12(15)7-10/h3-6,10,12H,1-2,7-9H2,(H,17,18).
What are the key properties of 2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid?
2-[2-(4-fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid has a molecular weight of 248.30 g/mol, XLogP of 3.36, 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-bicyclo[2.2.1]heptanyl]acetic acid is sourced from PubChem (CID 24945240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).