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

C12H14ClF4NO — CID 169452686

IUPAC4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
SMILESCl.Fc1cc(OC(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C12H13F4NO.ClH/c13-11-7-9(18-12(14,15)16)1-2-10(11)8-3-5-17-6-4-8;/h1-2,7-8,17H,3-6H2;1H
InChIKeyYJIXTHMXAYDEGP-UHFFFAOYSA-N
MW299.70 g/mol
LogP3.61
Rot. Bonds2

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

4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride (PubChem CID 169452686) has the molecular formula C12H14ClF4NO and a molecular weight of 299.70 g/mol. Its IUPAC name is 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
PubChem CID169452686
Molecular FormulaC12H14ClF4NO
Molecular Weight299.70 g/mol
Exact Mass299.07
IUPAC Name4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
SMILESCl.Fc1cc(OC(F)(F)F)ccc1C1CCNCC1
InChIInChI=1S/C12H13F4NO.ClH/c13-11-7-9(18-12(14,15)16)1-2-10(11)8-3-5-17-6-4-8;/h1-2,7-8,17H,3-6H2;1H
InChIKeyYJIXTHMXAYDEGP-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.70
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]piperidine;hydrochloride
CID 134691211
2-piperidin-4-yl-4-(trifluoromethoxy)benzaldehyde
CID 175242598
4-[2-(cyclopropylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine
CID 171115591
4-[2-(oxan-4-ylmethoxy)-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171115600
4-[4-methyl-2-(trifluoromethoxy)phenyl]piperidine
CID 166120324
N-cyclopropyl-2-(3-fluoro-4-piperidin-4-ylphenoxy)acetamide;hydrochloride
CID 154814788
2-(chloromethyl)-1-cyclopropyl-4-(trifluoromethoxy)benzene
CID 174897462
5-[(2R,4S)-2-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidin-4-yl]-2,3-dihydro-1,2-oxazole
CID 151418659
3-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 169498278
4-[3,4-difluoro-2-(trifluoromethyl)phenyl]piperidine
CID 118483533
4-[2-(trifluoromethoxy)phenyl]piperidine
CID 58808055

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
The IUPAC name of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride (CID 169452686) is 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
The canonical SMILES for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride is Cl.Fc1cc(OC(F)(F)F)ccc1C1CCNCC1.
What is the InChIKey of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
The InChIKey is YJIXTHMXAYDEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO.ClH/c13-11-7-9(18-12(14,15)16)1-2-10(11)8-3-5-17-6-4-8;/h1-2,7-8,17H,3-6H2;1H.
What are the key properties of 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride?
4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride has a molecular weight of 299.70 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride is sourced from PubChem (CID 169452686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).