1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid

C10H16FNO2 — CID 143545233

IUPAC1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid
SMILESCC/C(F)=C\CCN1CC(C(=O)O)C1
InChIInChI=1S/C10H16FNO2/c1-2-9(11)4-3-5-12-6-8(7-12)10(13)14/h4,8H,2-3,5-7H2,1H3,(H,13,14)/b9-4+
InChIKeyKGHPYJTUOHESTG-RUDMXATFSA-N
MW201.24 g/mol
LogP1.66
Rot. Bonds5

About 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid

1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid (PubChem CID 143545233) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid
PubChem CID143545233
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid
SMILESCC/C(F)=C\CCN1CC(C(=O)O)C1
InChIInChI=1S/C10H16FNO2/c1-2-9(11)4-3-5-12-6-8(7-12)10(13)14/h4,8H,2-3,5-7H2,1H3,(H,13,14)/b9-4+
InChIKeyKGHPYJTUOHESTG-RUDMXATFSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid (CID 143545233) is 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid is CC/C(F)=C\CCN1CC(C(=O)O)C1.
What is the InChIKey of 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid?
The InChIKey is KGHPYJTUOHESTG-RUDMXATFSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-2-9(11)4-3-5-12-6-8(7-12)10(13)14/h4,8H,2-3,5-7H2,1H3,(H,13,14)/b9-4+.
What are the key properties of 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid?
1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid has a molecular weight of 201.24 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-fluorohex-3-enyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 143545233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).