(2S)-2-(2,6-difluoro-4-iodophenyl)azetidine

C9H8F2IN — CID 130663816

IUPAC(2S)-2-(2,6-difluoro-4-iodophenyl)azetidine
SMILESFc1cc(I)cc(F)c1[C@@H]1CCN1
InChIInChI=1S/C9H8F2IN/c10-6-3-5(12)4-7(11)9(6)8-1-2-13-8/h3-4,8,13H,1-2H2/t8-/m0/s1
InChIKeyYLAMKRSRNUSSHZ-QMMMGPOBSA-N
MW295.07 g/mol
LogP2.60
Rot. Bonds1

About (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine

(2S)-2-(2,6-difluoro-4-iodophenyl)azetidine (PubChem CID 130663816) has the molecular formula C9H8F2IN and a molecular weight of 295.07 g/mol. Its IUPAC name is (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(2,6-difluoro-4-iodophenyl)azetidine
PubChem CID130663816
Molecular FormulaC9H8F2IN
Molecular Weight295.07 g/mol
Exact Mass294.97
IUPAC Name(2S)-2-(2,6-difluoro-4-iodophenyl)azetidine
SMILESFc1cc(I)cc(F)c1[C@@H]1CCN1
InChIInChI=1S/C9H8F2IN/c10-6-3-5(12)4-7(11)9(6)8-1-2-13-8/h3-4,8,13H,1-2H2/t8-/m0/s1
InChIKeyYLAMKRSRNUSSHZ-QMMMGPOBSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.07
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,3,5,6-tetrafluorophenyl)azetidine
CID 130618246
2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503
3,5-difluoro-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66518605
3,5-difluoro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518606
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
3-[(2S)-azetidin-2-yl]-2,5-difluoro-4-methylphenol
CID 55271364
2-[(2S)-azetidin-2-yl]-3-bromo-5,6-difluorophenol
CID 130700324
2-(3-bromo-2,6-difluorophenyl)azetidine
CID 130061365
(2S)-2-(2,5-difluorophenyl)azetidine
CID 55278103
(2R)-2-(2-bromo-6-fluorophenyl)azetidine;hydrochloride
CID 171197230
2-[(2S)-azetidin-2-yl]-4,6-dibromo-3-fluoroaniline
CID 131190603
2-[(2S)-azetidin-2-yl]-4-fluoro-5-methylphenol
CID 131165105

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine?
The IUPAC name of (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine (CID 130663816) is (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine.
What is the SMILES notation for (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine?
The canonical SMILES for (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine is Fc1cc(I)cc(F)c1[C@@H]1CCN1.
What is the InChIKey of (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine?
The InChIKey is YLAMKRSRNUSSHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8F2IN/c10-6-3-5(12)4-7(11)9(6)8-1-2-13-8/h3-4,8,13H,1-2H2/t8-/m0/s1.
What are the key properties of (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine?
(2S)-2-(2,6-difluoro-4-iodophenyl)azetidine has a molecular weight of 295.07 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluoro-4-iodophenyl)azetidine is sourced from PubChem (CID 130663816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).