1-iodo-3-(trifluoromethoxymethyl)piperidine

C7H11F3INO — CID 144865121

IUPAC1-iodo-3-(trifluoromethoxymethyl)piperidine
SMILESFC(F)(F)OCC1CCCN(I)C1
InChIInChI=1S/C7H11F3INO/c8-7(9,10)13-5-6-2-1-3-12(11)4-6/h6H,1-5H2
InChIKeyVCPRXOWQRIMYRN-UHFFFAOYSA-N
MW309.07 g/mol
LogP2.58
Rot. Bonds2

About 1-iodo-3-(trifluoromethoxymethyl)piperidine

1-iodo-3-(trifluoromethoxymethyl)piperidine (PubChem CID 144865121) has the molecular formula C7H11F3INO and a molecular weight of 309.07 g/mol. Its IUPAC name is 1-iodo-3-(trifluoromethoxymethyl)piperidine.

Molecular Properties

Compound Name1-iodo-3-(trifluoromethoxymethyl)piperidine
PubChem CID144865121
Molecular FormulaC7H11F3INO
Molecular Weight309.07 g/mol
Exact Mass308.98
IUPAC Name1-iodo-3-(trifluoromethoxymethyl)piperidine
SMILESFC(F)(F)OCC1CCCN(I)C1
InChIInChI=1S/C7H11F3INO/c8-7(9,10)13-5-6-2-1-3-12(11)4-6/h6H,1-5H2
InChIKeyVCPRXOWQRIMYRN-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 58495767
CID 58495767
CID 122652188
CID 122652188
CID 99224777
CID 99224777
CID 105432609
CID 105432609
CID 118163460
CID 118163460
CID 122664383
CID 122664383
CID 130226795
CID 130226795
CID 137419206
CID 137419206
CID 154187285
CID 154187285
CID 156206149
CID 156206149
CID 156206274
CID 156206274
CID 166929234
CID 166929234

Frequently Asked Questions

What is the IUPAC name of 1-iodo-3-(trifluoromethoxymethyl)piperidine?
The IUPAC name of 1-iodo-3-(trifluoromethoxymethyl)piperidine (CID 144865121) is 1-iodo-3-(trifluoromethoxymethyl)piperidine.
What is the SMILES notation for 1-iodo-3-(trifluoromethoxymethyl)piperidine?
The canonical SMILES for 1-iodo-3-(trifluoromethoxymethyl)piperidine is FC(F)(F)OCC1CCCN(I)C1.
What is the InChIKey of 1-iodo-3-(trifluoromethoxymethyl)piperidine?
The InChIKey is VCPRXOWQRIMYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3INO/c8-7(9,10)13-5-6-2-1-3-12(11)4-6/h6H,1-5H2.
What are the key properties of 1-iodo-3-(trifluoromethoxymethyl)piperidine?
1-iodo-3-(trifluoromethoxymethyl)piperidine has a molecular weight of 309.07 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-3-(trifluoromethoxymethyl)piperidine is sourced from PubChem (CID 144865121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).