1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid

C15H18FNO2 — CID 69327639

IUPAC1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC12CCC(C1)C(F)C2(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H18FNO2/c16-12-11-6-7-14(17,9-11)15(12,13(18)19)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,19)
InChIKeyWCVPFMCJNHXKHS-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.15
Rot. Bonds3

About 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid

1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 69327639) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID69327639
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid
SMILESNC12CCC(C1)C(F)C2(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H18FNO2/c16-12-11-6-7-14(17,9-11)15(12,13(18)19)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,19)
InChIKeyWCVPFMCJNHXKHS-UHFFFAOYSA-N
XLogP2.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid (CID 69327639) is 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid is NC12CCC(C1)C(F)C2(Cc1ccccc1)C(=O)O.
What is the InChIKey of 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is WCVPFMCJNHXKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-12-11-6-7-14(17,9-11)15(12,13(18)19)8-10-4-2-1-3-5-10/h1-5,11-12H,6-9,17H2,(H,18,19).
What are the key properties of 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid?
1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 263.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-benzyl-3-fluorobicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 69327639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).