4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine

C13H15F4NO — CID 68521915

IUPAC4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
SMILESFc1cc(C(F)(F)F)ccc1COC1CCNCC1
InChIInChI=1S/C13H15F4NO/c14-12-7-10(13(15,16)17)2-1-9(12)8-19-11-3-5-18-6-4-11/h1-2,7,11,18H,3-6,8H2
InChIKeyKGPUFJDUEDHJPN-UHFFFAOYSA-N
MW277.26 g/mol
LogP3.11
Rot. Bonds3

About 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine

4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine (PubChem CID 68521915) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
PubChem CID68521915
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
SMILESFc1cc(C(F)(F)F)ccc1COC1CCNCC1
InChIInChI=1S/C13H15F4NO/c14-12-7-10(13(15,16)17)2-1-9(12)8-19-11-3-5-18-6-4-11/h1-2,7,11,18H,3-6,8H2
InChIKeyKGPUFJDUEDHJPN-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine?
The IUPAC name of 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine (CID 68521915) is 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine.
What is the SMILES notation for 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine?
The canonical SMILES for 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine is Fc1cc(C(F)(F)F)ccc1COC1CCNCC1.
What is the InChIKey of 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine?
The InChIKey is KGPUFJDUEDHJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-12-7-10(13(15,16)17)2-1-9(12)8-19-11-3-5-18-6-4-11/h1-2,7,11,18H,3-6,8H2.
What are the key properties of 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine?
4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine has a molecular weight of 277.26 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine is sourced from PubChem (CID 68521915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).