4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride

C13H16ClF4NO — CID 134691211

IUPAC4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
SMILESCl.Fc1cc(OCC(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C13H15F4NO.ClH/c14-12-7-10(19-8-13(15,16)17)1-2-11(12)9-3-5-18-6-4-9;/h1-2,7,9,18H,3-6,8H2;1H
InChIKeyQFUBFNXHRKJLRN-UHFFFAOYSA-N
MW313.72 g/mol
LogP3.66
Rot. Bonds3

About 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride

4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride (PubChem CID 134691211) has the molecular formula C13H16ClF4NO and a molecular weight of 313.72 g/mol. Its IUPAC name is 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
PubChem CID134691211
Molecular FormulaC13H16ClF4NO
Molecular Weight313.72 g/mol
Exact Mass313.09
IUPAC Name4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
SMILESCl.Fc1cc(OCC(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C13H15F4NO.ClH/c14-12-7-10(19-8-13(15,16)17)1-2-11(12)9-3-5-18-6-4-9;/h1-2,7,9,18H,3-6,8H2;1H
InChIKeyQFUBFNXHRKJLRN-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.72
LogP ≤ 53.66
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-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride (CID 134691211) is 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride is Cl.Fc1cc(OCC(F)(F)F)ccc1C1CCNCC1.
What is the InChIKey of 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride?
The InChIKey is QFUBFNXHRKJLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO.ClH/c14-12-7-10(19-8-13(15,16)17)1-2-11(12)9-3-5-18-6-4-9;/h1-2,7,9,18H,3-6,8H2;1H.
What are the key properties of 4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride?
4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride has a molecular weight of 313.72 g/mol, XLogP of 3.66, 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-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 134691211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).