(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine

C11H12F2IN — CID 175634971

IUPAC(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine
SMILESFc1ccc([C@@H]2CC(F)(I)CCN2)cc1
InChIInChI=1S/C11H12F2IN/c12-9-3-1-8(2-4-9)10-7-11(13,14)5-6-15-10/h1-4,10,15H,5-7H2/t10-,11?/m0/s1
InChIKeyRFTONLSKWGVMSY-VUWPPUDQSA-N
MW323.12 g/mol
LogP3.35
Rot. Bonds1

About (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine

(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine (PubChem CID 175634971) has the molecular formula C11H12F2IN and a molecular weight of 323.12 g/mol. Its IUPAC name is (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine.

Molecular Properties

Compound Name(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine
PubChem CID175634971
Molecular FormulaC11H12F2IN
Molecular Weight323.12 g/mol
Exact Mass323.00
IUPAC Name(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine
SMILESFc1ccc([C@@H]2CC(F)(I)CCN2)cc1
InChIInChI=1S/C11H12F2IN/c12-9-3-1-8(2-4-9)10-7-11(13,14)5-6-15-10/h1-4,10,15H,5-7H2/t10-,11?/m0/s1
InChIKeyRFTONLSKWGVMSY-VUWPPUDQSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-4-methylpiperidin-4-ol
CID 117236664
(2R)-4,4-difluoro-2-(4-fluorophenyl)pyrrolidine
CID 159819312
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
2-(4-fluorophenyl)azetidine;hydrochloride
CID 155891542
4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile
CID 168994260
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
5-[(2S)-4,4-difluoropiperidin-2-yl]-2-methylpyridine
CID 167033139
(2R,4S)-2-(4-fluorophenyl)piperidin-4-ol
CID 67506323
5-(4-fluorophenyl)-1,4-diazocane
CID 58295234
6-(4-fluorophenyl)-5-azaspiro[2.5]octane
CID 164750776
4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile
CID 125469118
3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688

Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine?
The IUPAC name of (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine (CID 175634971) is (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine.
What is the SMILES notation for (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine?
The canonical SMILES for (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine is Fc1ccc([C@@H]2CC(F)(I)CCN2)cc1.
What is the InChIKey of (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine?
The InChIKey is RFTONLSKWGVMSY-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H12F2IN/c12-9-3-1-8(2-4-9)10-7-11(13,14)5-6-15-10/h1-4,10,15H,5-7H2/t10-,11?/m0/s1.
What are the key properties of (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine?
(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine has a molecular weight of 323.12 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine is sourced from PubChem (CID 175634971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).