4,4-difluoro-1-(4-iodophenyl)piperidine

C11H12F2IN — CID 166883547

IUPAC4,4-difluoro-1-(4-iodophenyl)piperidine
SMILESFC1(F)CCN(c2ccc(I)cc2)CC1
InChIInChI=1S/C11H12F2IN/c12-11(13)5-7-15(8-6-11)10-3-1-9(14)2-4-10/h1-4H,5-8H2
InChIKeyZHCXJJYAZHCUFD-UHFFFAOYSA-N
MW323.12 g/mol
LogP3.53
Rot. Bonds1

About 4,4-difluoro-1-(4-iodophenyl)piperidine

4,4-difluoro-1-(4-iodophenyl)piperidine (PubChem CID 166883547) has the molecular formula C11H12F2IN and a molecular weight of 323.12 g/mol. Its IUPAC name is 4,4-difluoro-1-(4-iodophenyl)piperidine.

Molecular Properties

Compound Name4,4-difluoro-1-(4-iodophenyl)piperidine
PubChem CID166883547
Molecular FormulaC11H12F2IN
Molecular Weight323.12 g/mol
Exact Mass323.00
IUPAC Name4,4-difluoro-1-(4-iodophenyl)piperidine
SMILESFC1(F)CCN(c2ccc(I)cc2)CC1
InChIInChI=1S/C11H12F2IN/c12-11(13)5-7-15(8-6-11)10-3-1-9(14)2-4-10/h1-4H,5-8H2
InChIKeyZHCXJJYAZHCUFD-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-1-(4-methylphenyl)piperidine;ethane
CID 145061539
1-(3,4-dichlorophenyl)-4,4-difluoropiperidine
CID 117007805
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
4-(3,3-difluoropyrrolidin-1-yl)-N-fluoroaniline
CID 155026115
1-tert-butyl-4-(4-iodophenyl)piperazine
CID 154329607
4-(4-iodophenyl)-1,4-oxazepane
CID 121246914
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-4-methylpiperazine
CID 163230338
2-chloro-4-(4,4-difluoropiperidin-1-yl)pyridine
CID 121204880
2-(4,4-difluoropiperidin-1-yl)-6-fluoro-4-iodopyridine
CID 169091956
4-(4,4-difluoropiperidin-1-yl)-2,6-difluoroaniline
CID 170761054
4-(4-fluoro-4-methylpiperidin-1-yl)aniline
CID 115025957

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(4-iodophenyl)piperidine?
The IUPAC name of 4,4-difluoro-1-(4-iodophenyl)piperidine (CID 166883547) is 4,4-difluoro-1-(4-iodophenyl)piperidine.
What is the SMILES notation for 4,4-difluoro-1-(4-iodophenyl)piperidine?
The canonical SMILES for 4,4-difluoro-1-(4-iodophenyl)piperidine is FC1(F)CCN(c2ccc(I)cc2)CC1.
What is the InChIKey of 4,4-difluoro-1-(4-iodophenyl)piperidine?
The InChIKey is ZHCXJJYAZHCUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2IN/c12-11(13)5-7-15(8-6-11)10-3-1-9(14)2-4-10/h1-4H,5-8H2.
What are the key properties of 4,4-difluoro-1-(4-iodophenyl)piperidine?
4,4-difluoro-1-(4-iodophenyl)piperidine has a molecular weight of 323.12 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(4-iodophenyl)piperidine is sourced from PubChem (CID 166883547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).