2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine

C8H14FN — CID 166992081

IUPAC2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine
SMILESC/C(=C\F)CCC1CCN1
InChIInChI=1S/C8H14FN/c1-7(6-9)2-3-8-4-5-10-8/h6,8,10H,2-5H2,1H3/b7-6+
InChIKeyCBMDYSJEMDPVJQ-VOTSOKGWSA-N
MW143.21 g/mol
LogP2.00
Rot. Bonds3

About 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine

2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine (PubChem CID 166992081) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine.

Molecular Properties

Compound Name2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine
PubChem CID166992081
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine
SMILESC/C(=C\F)CCC1CCN1
InChIInChI=1S/C8H14FN/c1-7(6-9)2-3-8-4-5-10-8/h6,8,10H,2-5H2,1H3/b7-6+
InChIKeyCBMDYSJEMDPVJQ-VOTSOKGWSA-N
XLogP2.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine?
The IUPAC name of 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine (CID 166992081) is 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine.
What is the SMILES notation for 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine?
The canonical SMILES for 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine is C/C(=C\F)CCC1CCN1.
What is the InChIKey of 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine?
The InChIKey is CBMDYSJEMDPVJQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14FN/c1-7(6-9)2-3-8-4-5-10-8/h6,8,10H,2-5H2,1H3/b7-6+.
What are the key properties of 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine?
2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine has a molecular weight of 143.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine is sourced from PubChem (CID 166992081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).