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

C9H16FN — CID 138638612

IUPAC3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine
SMILESC/C(=C\C(C)F)CC1CNC1
InChIInChI=1S/C9H16FN/c1-7(3-8(2)10)4-9-5-11-6-9/h3,8-9,11H,4-6H2,1-2H3/b7-3+
InChIKeyZXVHKBHCRSDOAP-XVNBXDOJSA-N
MW157.23 g/mol
LogP1.90
Rot. Bonds3

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

3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine (PubChem CID 138638612) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine.

Molecular Properties

Compound Name3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine
PubChem CID138638612
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine
SMILESC/C(=C\C(C)F)CC1CNC1
InChIInChI=1S/C9H16FN/c1-7(3-8(2)10)4-9-5-11-6-9/h3,8-9,11H,4-6H2,1-2H3/b7-3+
InChIKeyZXVHKBHCRSDOAP-XVNBXDOJSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine?
The IUPAC name of 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine (CID 138638612) is 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine.
What is the SMILES notation for 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine?
The canonical SMILES for 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine is C/C(=C\C(C)F)CC1CNC1.
What is the InChIKey of 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine?
The InChIKey is ZXVHKBHCRSDOAP-XVNBXDOJSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(3-8(2)10)4-9-5-11-6-9/h3,8-9,11H,4-6H2,1-2H3/b7-3+.
What are the key properties of 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine?
3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine has a molecular weight of 157.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-4-fluoro-2-methylpent-2-enyl]azetidine is sourced from PubChem (CID 138638612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).