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

C9H14FNO2 — CID 143545250

IUPAC1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid
SMILESC/C(F)=C\CCN1CC(C(=O)O)C1
InChIInChI=1S/C9H14FNO2/c1-7(10)3-2-4-11-5-8(6-11)9(12)13/h3,8H,2,4-6H2,1H3,(H,12,13)/b7-3+
InChIKeyNOVBUQYEIWRFBD-XVNBXDOJSA-N
MW187.21 g/mol
LogP1.27
Rot. Bonds4

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

1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid (PubChem CID 143545250) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid
PubChem CID143545250
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid
SMILESC/C(F)=C\CCN1CC(C(=O)O)C1
InChIInChI=1S/C9H14FNO2/c1-7(10)3-2-4-11-5-8(6-11)9(12)13/h3,8H,2,4-6H2,1H3,(H,12,13)/b7-3+
InChIKeyNOVBUQYEIWRFBD-XVNBXDOJSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid (CID 143545250) is 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid is C/C(F)=C\CCN1CC(C(=O)O)C1.
What is the InChIKey of 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid?
The InChIKey is NOVBUQYEIWRFBD-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(10)3-2-4-11-5-8(6-11)9(12)13/h3,8H,2,4-6H2,1H3,(H,12,13)/b7-3+.
What are the key properties of 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid?
1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid has a molecular weight of 187.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-fluoropent-3-enyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 143545250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).