3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid

C6H8FNO2 — CID 155390310

IUPAC3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(/C=C\F)C1
InChIInChI=1S/C6H8FNO2/c7-2-1-5-3-8(4-5)6(9)10/h1-2,5H,3-4H2,(H,9,10)/b2-1-
InChIKeyQIGAVRPSIVODGC-UPHRSURJSA-N
MW145.13 g/mol
LogP1.08
Rot. Bonds1

About 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid

3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid (PubChem CID 155390310) has the molecular formula C6H8FNO2 and a molecular weight of 145.13 g/mol. Its IUPAC name is 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid
PubChem CID155390310
Molecular FormulaC6H8FNO2
Molecular Weight145.13 g/mol
Exact Mass145.05
IUPAC Name3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(/C=C\F)C1
InChIInChI=1S/C6H8FNO2/c7-2-1-5-3-8(4-5)6(9)10/h1-2,5H,3-4H2,(H,9,10)/b2-1-
InChIKeyQIGAVRPSIVODGC-UPHRSURJSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.13
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,2-Difluoroethenyl)azetidine-1-carboxylic acid
CID 155390220
3-(2-Fluoroethenyl)azetidine-1-carboxylic acid
CID 155390311
3-(2-Trimethylstannylethenyl)azetidine-1-carboxylic acid
CID 70984586
3-[(E)-2-iodoethenyl]azetidine-1-carboxylic acid
CID 89158697
3-[(E)-2-trimethylstannylethenyl]azetidine-1-carboxylic acid
CID 89159206
3-(2-Iodoethenyl)azetidine-1-carboxylic acid
CID 141356643
3-Ethenylazetidine-1-carboxylic acid
CID 141408569
3-[(Z)-prop-1-enyl]azetidine-1-carboxylic acid
CID 155390164
3-Prop-1-enylazetidine-1-carboxylic acid
CID 155390165

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid (CID 155390310) is 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid is O=C(O)N1CC(/C=C\F)C1.
What is the InChIKey of 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid?
The InChIKey is QIGAVRPSIVODGC-UPHRSURJSA-N. The full InChI is InChI=1S/C6H8FNO2/c7-2-1-5-3-8(4-5)6(9)10/h1-2,5H,3-4H2,(H,9,10)/b2-1-.
What are the key properties of 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid?
3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid has a molecular weight of 145.13 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-fluoroethenyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 155390310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).