3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine

C10H18FN — CID 157421452

IUPAC3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine
SMILESCC(C)/C=C/CN1CC(C)(F)C1
InChIInChI=1S/C10H18FN/c1-9(2)5-4-6-12-7-10(3,11)8-12/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyMYADPGXVSYTAHI-SNAWJCMRSA-N
MW171.26 g/mol
LogP2.24
Rot. Bonds3

About 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine

3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine (PubChem CID 157421452) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine
PubChem CID157421452
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine
SMILESCC(C)/C=C/CN1CC(C)(F)C1
InChIInChI=1S/C10H18FN/c1-9(2)5-4-6-12-7-10(3,11)8-12/h4-5,9H,6-8H2,1-3H3/b5-4+
InChIKeyMYADPGXVSYTAHI-SNAWJCMRSA-N
XLogP2.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
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-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine?
The IUPAC name of 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine (CID 157421452) is 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine is CC(C)/C=C/CN1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine?
The InChIKey is MYADPGXVSYTAHI-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H18FN/c1-9(2)5-4-6-12-7-10(3,11)8-12/h4-5,9H,6-8H2,1-3H3/b5-4+.
What are the key properties of 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine?
3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine has a molecular weight of 171.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-[(E)-4-methylpent-2-enyl]azetidine is sourced from PubChem (CID 157421452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).