4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride

C12H14ClF4N — CID 118483483

IUPAC4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(C(F)(F)F)c1C1CCNCC1
InChIInChI=1S/C12H13F4N.ClH/c13-10-3-1-2-9(12(14,15)16)11(10)8-4-6-17-7-5-8;/h1-3,8,17H,4-7H2;1H
InChIKeyWQGWUPUILNMKEE-UHFFFAOYSA-N
MW283.70 g/mol
LogP3.73
Rot. Bonds1

About 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride

4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride (PubChem CID 118483483) has the molecular formula C12H14ClF4N and a molecular weight of 283.70 g/mol. Its IUPAC name is 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride
PubChem CID118483483
Molecular FormulaC12H14ClF4N
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride
SMILESCl.Fc1cccc(C(F)(F)F)c1C1CCNCC1
InChIInChI=1S/C12H13F4N.ClH/c13-10-3-1-2-9(12(14,15)16)11(10)8-4-6-17-7-5-8;/h1-3,8,17H,4-7H2;1H
InChIKeyWQGWUPUILNMKEE-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride (CID 118483483) is 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride is Cl.Fc1cccc(C(F)(F)F)c1C1CCNCC1.
What is the InChIKey of 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride?
The InChIKey is WQGWUPUILNMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4N.ClH/c13-10-3-1-2-9(12(14,15)16)11(10)8-4-6-17-7-5-8;/h1-3,8,17H,4-7H2;1H.
What are the key properties of 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride?
4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride has a molecular weight of 283.70 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-6-(trifluoromethyl)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 118483483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).