2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid

C10H14FNO2 — CID 79728903

IUPAC2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid
SMILESCN1C2CCC1CC(=C(F)C(=O)O)C2
InChIInChI=1S/C10H14FNO2/c1-12-7-2-3-8(12)5-6(4-7)9(11)10(13)14/h7-8H,2-5H2,1H3,(H,13,14)
InChIKeyBRJWUQYTGATKME-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.55
Rot. Bonds1

About 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid

2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid (PubChem CID 79728903) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid
PubChem CID79728903
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid
SMILESCN1C2CCC1CC(=C(F)C(=O)O)C2
InChIInChI=1S/C10H14FNO2/c1-12-7-2-3-8(12)5-6(4-7)9(11)10(13)14/h7-8H,2-5H2,1H3,(H,13,14)
InChIKeyBRJWUQYTGATKME-UHFFFAOYSA-N
XLogP1.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid?
The IUPAC name of 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid (CID 79728903) is 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid.
What is the SMILES notation for 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid?
The canonical SMILES for 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid is CN1C2CCC1CC(=C(F)C(=O)O)C2.
What is the InChIKey of 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid?
The InChIKey is BRJWUQYTGATKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-12-7-2-3-8(12)5-6(4-7)9(11)10(13)14/h7-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid?
2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid has a molecular weight of 199.22 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetic acid is sourced from PubChem (CID 79728903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).