2,3-difluoro-4-phenoxypiperidine

C11H13F2NO — CID 129282213

IUPAC2,3-difluoro-4-phenoxypiperidine
SMILESFC1NCCC(Oc2ccccc2)C1F
InChIInChI=1S/C11H13F2NO/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2
InChIKeyUGFNDFCYCKHKFE-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.06
Rot. Bonds2

About 2,3-difluoro-4-phenoxypiperidine

2,3-difluoro-4-phenoxypiperidine (PubChem CID 129282213) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 2,3-difluoro-4-phenoxypiperidine.

Molecular Properties

Compound Name2,3-difluoro-4-phenoxypiperidine
PubChem CID129282213
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2,3-difluoro-4-phenoxypiperidine
SMILESFC1NCCC(Oc2ccccc2)C1F
InChIInChI=1S/C11H13F2NO/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2
InChIKeyUGFNDFCYCKHKFE-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-phenoxypyrrolidine-2-carboxylic acid
CID 54473999
(2S,3R)-3-phenoxy-2-phenylpiperidine
CID 97356138
3-phenoxypiperidin-4-amine
CID 91441507
2-phenoxycyclopentane-1-thiol
CID 130451527
4-phenoxypyrrolidine-3-thiol
CID 130451524
3-[(3R,4S)-3-fluoropiperidin-4-yl]oxypyridine
CID 129278225
(3R,4R)-4-(4-bromophenoxy)-3-phenylpiperidine
CID 13039290
2-phenoxycyclooctan-1-ol
CID 22247671
3-phenoxy-4-propan-2-ylpyrrolidine
CID 130439582
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
(1R,5S)-2-phenoxy-6-oxabicyclo[3.1.0]hexane
CID 54108121
(1R,2S,5S,6R,7S)-7-phenoxytricyclo[4.2.2.02,5]dec-3-ene
CID 11914682

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-phenoxypiperidine?
The IUPAC name of 2,3-difluoro-4-phenoxypiperidine (CID 129282213) is 2,3-difluoro-4-phenoxypiperidine.
What is the SMILES notation for 2,3-difluoro-4-phenoxypiperidine?
The canonical SMILES for 2,3-difluoro-4-phenoxypiperidine is FC1NCCC(Oc2ccccc2)C1F.
What is the InChIKey of 2,3-difluoro-4-phenoxypiperidine?
The InChIKey is UGFNDFCYCKHKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-10-9(6-7-14-11(10)13)15-8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2.
What are the key properties of 2,3-difluoro-4-phenoxypiperidine?
2,3-difluoro-4-phenoxypiperidine has a molecular weight of 213.23 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-phenoxypiperidine is sourced from PubChem (CID 129282213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).