3-fluoro-3-iodopiperidine

C5H9FIN — CID 126739580

IUPAC3-fluoro-3-iodopiperidine
SMILESFC1(I)CCCNC1
InChIInChI=1S/C5H9FIN/c6-5(7)2-1-3-8-4-5/h8H,1-4H2
InChIKeyQLEJJQPIDIWAPS-UHFFFAOYSA-N
MW229.04 g/mol
LogP1.47
Rot. Bonds

About 3-fluoro-3-iodopiperidine

3-fluoro-3-iodopiperidine (PubChem CID 126739580) has the molecular formula C5H9FIN and a molecular weight of 229.04 g/mol. Its IUPAC name is 3-fluoro-3-iodopiperidine.

Molecular Properties

Compound Name3-fluoro-3-iodopiperidine
PubChem CID126739580
Molecular FormulaC5H9FIN
Molecular Weight229.04 g/mol
Exact Mass228.98
IUPAC Name3-fluoro-3-iodopiperidine
SMILESFC1(I)CCCNC1
InChIInChI=1S/C5H9FIN/c6-5(7)2-1-3-8-4-5/h8H,1-4H2
InChIKeyQLEJJQPIDIWAPS-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.04
LogP ≤ 51.47
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

(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3,3-difluoroazepane;hydrochloride
CID 118798396
3,3-difluoroazepane;ethane
CID 142117389
2,2-difluoro-6-azaspiro[3.5]nonane;hydrochloride
CID 163197098
3,3-difluoro-1,8-diazaspiro[3.5]nonane
CID 88978072
(3R)-3-fluoro-3-methylazepane
CID 124708989
but-2-yne;cyclohexane;3,3-difluoropiperidine
CID 144886146
3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
CID 145216920
(5R)-2,9-diazaspiro[4.5]decane
CID 86326439
3-fluoro-3-propylpiperidine
CID 83815245
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
(3R)-3-fluoro-3-propylpiperidine
CID 89109872

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-iodopiperidine?
The IUPAC name of 3-fluoro-3-iodopiperidine (CID 126739580) is 3-fluoro-3-iodopiperidine.
What is the SMILES notation for 3-fluoro-3-iodopiperidine?
The canonical SMILES for 3-fluoro-3-iodopiperidine is FC1(I)CCCNC1.
What is the InChIKey of 3-fluoro-3-iodopiperidine?
The InChIKey is QLEJJQPIDIWAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FIN/c6-5(7)2-1-3-8-4-5/h8H,1-4H2.
What are the key properties of 3-fluoro-3-iodopiperidine?
3-fluoro-3-iodopiperidine has a molecular weight of 229.04 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-iodopiperidine is sourced from PubChem (CID 126739580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).