4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine

C14H19F2NO — CID 115047555

IUPAC4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
SMILESCC(F)(F)c1ccccc1OCC1CCNCC1
InChIInChI=1S/C14H19F2NO/c1-14(15,16)12-4-2-3-5-13(12)18-10-11-6-8-17-9-7-11/h2-5,11,17H,6-10H2,1H3
InChIKeyRSSAUZVDIBUVIU-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.18
Rot. Bonds4

About 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine

4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine (PubChem CID 115047555) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine.

Molecular Properties

Compound Name4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
PubChem CID115047555
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine
SMILESCC(F)(F)c1ccccc1OCC1CCNCC1
InChIInChI=1S/C14H19F2NO/c1-14(15,16)12-4-2-3-5-13(12)18-10-11-6-8-17-9-7-11/h2-5,11,17H,6-10H2,1H3
InChIKeyRSSAUZVDIBUVIU-UHFFFAOYSA-N
XLogP3.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-fluoropropan-2-yl)phenoxy]methyl]pyrrolidine
CID 115042137
(3S)-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 86321036
4-[2-(1,1-difluoroethyl)phenoxy]piperidine
CID 115044136
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
4-[[4-[2-(trifluoromethyl)phenoxy]phenoxy]methyl]piperidine
CID 68829498
4-[(2-iodophenoxy)methyl]piperidine;hydrochloride
CID 53409948
3-[(2-tert-butylphenoxy)methyl]azetidine
CID 59577199
tert-butyl formate;4-[(4-fluorophenoxy)methyl]piperidine
CID 175274802
4-[(2-phenylmethoxyphenoxy)methyl]piperidine;hydrochloride
CID 164512463
4-(piperidin-4-ylmethoxy)-3-(trifluoromethyl)pyridine
CID 166105232
(3S)-3-[(2-fluorophenoxy)methyl]pyrrolidine
CID 86316087
2-[2-(piperidin-4-ylmethoxy)phenyl]acetonitrile
CID 170886397

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine?
The IUPAC name of 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine (CID 115047555) is 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine.
What is the SMILES notation for 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine?
The canonical SMILES for 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine is CC(F)(F)c1ccccc1OCC1CCNCC1.
What is the InChIKey of 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine?
The InChIKey is RSSAUZVDIBUVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(15,16)12-4-2-3-5-13(12)18-10-11-6-8-17-9-7-11/h2-5,11,17H,6-10H2,1H3.
What are the key properties of 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine?
4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine has a molecular weight of 255.31 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1,1-difluoroethyl)phenoxy]methyl]piperidine is sourced from PubChem (CID 115047555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).