2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C10H15FO2 — CID 80695104

IUPAC2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(CCF)CC2CCC1C2
InChIInChI=1S/C10H15FO2/c11-4-3-10(9(12)13)6-7-1-2-8(10)5-7/h7-8H,1-6H2,(H,12,13)
InChIKeyDHRFJWZTTSJBLP-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 80695104) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID80695104
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1(CCF)CC2CCC1C2
InChIInChI=1S/C10H15FO2/c11-4-3-10(9(12)13)6-7-1-2-8(10)5-7/h7-8H,1-6H2,(H,12,13)
InChIKeyDHRFJWZTTSJBLP-UHFFFAOYSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 80695104) is 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1(CCF)CC2CCC1C2.
What is the InChIKey of 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is DHRFJWZTTSJBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c11-4-3-10(9(12)13)6-7-1-2-8(10)5-7/h7-8H,1-6H2,(H,12,13).
What are the key properties of 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 186.23 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 80695104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).