2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid

C16H19FO2 — CID 70938595

IUPAC2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2CC[C@H](C2)C1
InChIInChI=1S/C16H19FO2/c17-14-5-3-13(4-6-14)16(10-15(18)19)8-11-1-2-12(7-11)9-16/h3-6,11-12H,1-2,7-10H2,(H,18,19)/t11-,12?,16?/m1/s1
InChIKeyVVGPNFCVODSBFW-OPGSHWCFSA-N
MW262.32 g/mol
LogP3.75
Rot. Bonds3

About 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid

2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid (PubChem CID 70938595) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid.

Molecular Properties

Compound Name2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
PubChem CID70938595
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
SMILESO=C(O)CC1(c2ccc(F)cc2)CC2CC[C@H](C2)C1
InChIInChI=1S/C16H19FO2/c17-14-5-3-13(4-6-14)16(10-15(18)19)8-11-1-2-12(7-11)9-16/h3-6,11-12H,1-2,7-10H2,(H,18,19)/t11-,12?,16?/m1/s1
InChIKeyVVGPNFCVODSBFW-OPGSHWCFSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
The IUPAC name of 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid (CID 70938595) is 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid.
What is the SMILES notation for 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
The canonical SMILES for 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid is O=C(O)CC1(c2ccc(F)cc2)CC2CC[C@H](C2)C1.
What is the InChIKey of 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
The InChIKey is VVGPNFCVODSBFW-OPGSHWCFSA-N. The full InChI is InChI=1S/C16H19FO2/c17-14-5-3-13(4-6-14)16(10-15(18)19)8-11-1-2-12(7-11)9-16/h3-6,11-12H,1-2,7-10H2,(H,18,19)/t11-,12?,16?/m1/s1.
What are the key properties of 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid?
2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid has a molecular weight of 262.32 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(4-fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid is sourced from PubChem (CID 70938595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).