3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine

C12H13F4NO — CID 83807041

IUPAC3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
SMILESFc1ccc(C(F)(F)F)cc1OC1CCCNC1
InChIInChI=1S/C12H13F4NO/c13-10-4-3-8(12(14,15)16)6-11(10)18-9-2-1-5-17-7-9/h3-4,6,9,17H,1-2,5,7H2
InChIKeyMUDHAQFWIREZEE-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.98
Rot. Bonds2

About 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine

3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine (PubChem CID 83807041) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
PubChem CID83807041
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine
SMILESFc1ccc(C(F)(F)F)cc1OC1CCCNC1
InChIInChI=1S/C12H13F4NO/c13-10-4-3-8(12(14,15)16)6-11(10)18-9-2-1-5-17-7-9/h3-4,6,9,17H,1-2,5,7H2
InChIKeyMUDHAQFWIREZEE-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine
CID 83806996
2-(azepan-4-yloxy)-5-(trifluoromethyl)aniline
CID 117095757
4-fluoro-3-[(3R)-pyrrolidin-3-yl]oxyaniline
CID 159690612
(3S)-3-(2,5-dichlorophenoxy)piperidine
CID 26191322
4-(2,5-difluorophenoxy)azepane
CID 63905212
3-fluoro-4-piperidin-3-yloxybenzoic acid
CID 117096713
3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
(3S)-3-(2-bromo-4-tert-butylphenoxy)piperidine
CID 86322142
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
N-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 79741047
2-(3-fluoro-4-piperidin-3-yloxyphenyl)ethanol
CID 170887452
(3R)-3-(4-chloro-2-propan-2-ylphenoxy)piperidine
CID 86322323

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine (CID 83807041) is 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine is Fc1ccc(C(F)(F)F)cc1OC1CCCNC1.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine?
The InChIKey is MUDHAQFWIREZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-10-4-3-8(12(14,15)16)6-11(10)18-9-2-1-5-17-7-9/h3-4,6,9,17H,1-2,5,7H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine?
3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine has a molecular weight of 263.23 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethyl)phenoxy]piperidine is sourced from PubChem (CID 83807041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).