3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine

C6H8F2IN — CID 141359466

IUPAC3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine
SMILESFC1(F)CN(C/C=C\I)C1
InChIInChI=1S/C6H8F2IN/c7-6(8)4-10(5-6)3-1-2-9/h1-2H,3-5H2/b2-1-
InChIKeyXTIRHTVBXKKVLK-UPHRSURJSA-N
MW259.04 g/mol
LogP1.89
Rot. Bonds2

About 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine

3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine (PubChem CID 141359466) has the molecular formula C6H8F2IN and a molecular weight of 259.04 g/mol. Its IUPAC name is 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine
PubChem CID141359466
Molecular FormulaC6H8F2IN
Molecular Weight259.04 g/mol
Exact Mass258.97
IUPAC Name3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine
SMILESFC1(F)CN(C/C=C\I)C1
InChIInChI=1S/C6H8F2IN/c7-6(8)4-10(5-6)3-1-2-9/h1-2H,3-5H2/b2-1-
InChIKeyXTIRHTVBXKKVLK-UPHRSURJSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.04
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine?
The IUPAC name of 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine (CID 141359466) is 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine.
What is the SMILES notation for 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine?
The canonical SMILES for 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine is FC1(F)CN(C/C=C\I)C1.
What is the InChIKey of 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine?
The InChIKey is XTIRHTVBXKKVLK-UPHRSURJSA-N. The full InChI is InChI=1S/C6H8F2IN/c7-6(8)4-10(5-6)3-1-2-9/h1-2H,3-5H2/b2-1-.
What are the key properties of 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine?
3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine has a molecular weight of 259.04 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine is sourced from PubChem (CID 141359466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).