4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride

C12H15ClF3N — CID 90039406

IUPAC4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(F)c([C@H](F)C2CCNCC2)c1
InChIInChI=1S/C12H14F3N.ClH/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6H2;1H/t12-;/m1./s1
InChIKeyLXVWOTJFXBYOTJ-UTONKHPSSA-N
MW265.71 g/mol
LogP3.40
Rot. Bonds2

About 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride

4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride (PubChem CID 90039406) has the molecular formula C12H15ClF3N and a molecular weight of 265.71 g/mol. Its IUPAC name is 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
PubChem CID90039406
Molecular FormulaC12H15ClF3N
Molecular Weight265.71 g/mol
Exact Mass265.08
IUPAC Name4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
SMILESCl.Fc1ccc(F)c([C@H](F)C2CCNCC2)c1
InChIInChI=1S/C12H14F3N.ClH/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6H2;1H/t12-;/m1./s1
InChIKeyLXVWOTJFXBYOTJ-UTONKHPSSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.71
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride?
The IUPAC name of 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride (CID 90039406) is 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride is Cl.Fc1ccc(F)c([C@H](F)C2CCNCC2)c1.
What is the InChIKey of 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride?
The InChIKey is LXVWOTJFXBYOTJ-UTONKHPSSA-N. The full InChI is InChI=1S/C12H14F3N.ClH/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6H2;1H/t12-;/m1./s1.
What are the key properties of 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride?
4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride has a molecular weight of 265.71 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride is sourced from PubChem (CID 90039406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).