4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

C12H13ClF3NO — CID 23081381

IUPAC4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C12H12F3NO.ClH/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-5,16H,6-8H2;1H
InChIKeyBBFCCCJXNJSFNO-UHFFFAOYSA-N
MW279.69 g/mol
LogP3.38
Rot. Bonds2

About 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 23081381) has the molecular formula C12H13ClF3NO and a molecular weight of 279.69 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID23081381
Molecular FormulaC12H13ClF3NO
Molecular Weight279.69 g/mol
Exact Mass279.06
IUPAC Name4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(C2=CCNCC2)cc1
InChIInChI=1S/C12H12F3NO.ClH/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-5,16H,6-8H2;1H
InChIKeyBBFCCCJXNJSFNO-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(trifluoromethoxy)phenoxy]methyl]-1,2,3,6-tetrahydropyridine
CID 114404657
7-hydroxy-5-(1,2,3,6-tetrahydropyridin-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]-3H-isoindol-1-one
CID 143187796
4-(4-cyclopentyloxyphenyl)-1,2,3,6-tetrahydropyridine
CID 18070580
2-methyl-4-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]butan-2-ol
CID 79360586
bis(4-(1,2,3,6-tetrahydropyridin-4-yl)aniline);2,2,2-trifluoroacetic acid
CID 175843365
4-[4-(2-propan-2-yloxyethoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 61485190
4-[4-(3-ethoxypropoxy)phenyl]-1,2,3,6-tetrahydropyridine
CID 65176251
4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
CID 21289058
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
2-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepine
CID 11681177
6-[4-(trifluoromethoxy)phenoxy]-1,2,3,4-tetrahydroisoquinoline
CID 91102700
3-methyl-2-[[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]methyl]pyridine
CID 115981883

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (CID 23081381) is 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.FC(F)(F)Oc1ccc(C2=CCNCC2)cc1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is BBFCCCJXNJSFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO.ClH/c13-12(14,15)17-11-3-1-9(2-4-11)10-5-7-16-8-6-10;/h1-5,16H,6-8H2;1H.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 279.69 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 23081381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).