difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine

C13H18F3NO — CID 166104221

IUPACdifluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
SMILESFCF.Fc1ccccc1OCC1CCCNC1
InChIInChI=1S/C12H16FNO.CH2F2/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;2-1-3/h1-2,5-6,10,14H,3-4,7-9H2;1H2
InChIKeyUCZKZFBTBDQSOA-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.09
Rot. Bonds3

About difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine

difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine (PubChem CID 166104221) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Namedifluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
PubChem CID166104221
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Namedifluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
SMILESFCF.Fc1ccccc1OCC1CCCNC1
InChIInChI=1S/C12H16FNO.CH2F2/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;2-1-3/h1-2,5-6,10,14H,3-4,7-9H2;1H2
InChIKeyUCZKZFBTBDQSOA-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
2-(piperidin-3-ylmethoxy)phenol;hydrochloride
CID 162016330
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
(3R)-3-[(2-phenylphenoxy)methyl]piperidine
CID 26190683
3-[(2-chlorophenoxy)methyl]piperidine;hydrochloride
CID 45074918
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[[2-(2-methylpropoxy)phenoxy]methyl]piperidine
CID 68596368
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
3-[2-(2-fluorophenoxy)ethyl]pyrrolidine;hydrochloride
CID 146064557
3-[(2-cyclohexyloxyphenoxy)methyl]piperidine;hydrochloride
CID 68594805
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
CID 92670023

Frequently Asked Questions

What is the IUPAC name of difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine?
The IUPAC name of difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine (CID 166104221) is difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine?
The canonical SMILES for difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine is FCF.Fc1ccccc1OCC1CCCNC1.
What is the InChIKey of difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine?
The InChIKey is UCZKZFBTBDQSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO.CH2F2/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;2-1-3/h1-2,5-6,10,14H,3-4,7-9H2;1H2.
What are the key properties of difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine?
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine has a molecular weight of 261.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 166104221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).