3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

C10H16FNO2 — CID 80695606

IUPAC3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCCF
InChIInChI=1S/C10H16FNO2/c11-3-4-12-9-7-2-1-6(5-7)8(9)10(13)14/h6-9,12H,1-5H2,(H,13,14)
InChIKeyNZXNFNWIYIIYFX-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.04
Rot. Bonds4

About 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid

3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 80695606) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID80695606
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(C2)C1NCCF
InChIInChI=1S/C10H16FNO2/c11-3-4-12-9-7-2-1-6(5-7)8(9)10(13)14/h6-9,12H,1-5H2,(H,13,14)
InChIKeyNZXNFNWIYIIYFX-UHFFFAOYSA-N
XLogP1.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 80695606) is 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(C2)C1NCCF.
What is the InChIKey of 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is NZXNFNWIYIIYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c11-3-4-12-9-7-2-1-6(5-7)8(9)10(13)14/h6-9,12H,1-5H2,(H,13,14).
What are the key properties of 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid?
3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 201.24 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 80695606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).