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

C16H15ClF3NO — CID 162368247

IUPAC6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc(-c2ccc3c(c2)CCCN3)c1
InChIInChI=1S/C16H14F3NO.ClH/c17-16(18,19)21-14-5-1-3-11(10-14)12-6-7-15-13(9-12)4-2-8-20-15;/h1,3,5-7,9-10,20H,2,4,8H2;1H
InChIKeyZUXHOZUGMYQHSP-UHFFFAOYSA-N
MW329.75 g/mol
LogP5.03
Rot. Bonds2

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

6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 162368247) has the molecular formula C16H15ClF3NO and a molecular weight of 329.75 g/mol. Its IUPAC name is 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID162368247
Molecular FormulaC16H15ClF3NO
Molecular Weight329.75 g/mol
Exact Mass329.08
IUPAC Name6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESCl.FC(F)(F)Oc1cccc(-c2ccc3c(c2)CCCN3)c1
InChIInChI=1S/C16H14F3NO.ClH/c17-16(18,19)21-14-5-1-3-11(10-14)12-6-7-15-13(9-12)4-2-8-20-15;/h1,3,5-7,9-10,20H,2,4,8H2;1H
InChIKeyZUXHOZUGMYQHSP-UHFFFAOYSA-N
XLogP5.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.75
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(trifluoromethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine;hydrochloride
CID 71432329
8-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
CID 106778906
5-(3-cyclopropyloxyphenyl)-2,3-dihydro-1H-indole
CID 114522456
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
1-[3-[3-(trifluoromethoxy)phenyl]phenyl]cyclopropan-1-amine;hydrochloride
CID 167713453
6-(furan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 63950356
6-thiophen-3-yl-1,2,3,4-tetrahydroquinoline
CID 23004941
6-(4-methoxy-3-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 62500963
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
1-bromo-2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzene
CID 155293542

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 162368247) is 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride is Cl.FC(F)(F)Oc1cccc(-c2ccc3c(c2)CCCN3)c1.
What is the InChIKey of 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is ZUXHOZUGMYQHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO.ClH/c17-16(18,19)21-14-5-1-3-11(10-14)12-6-7-15-13(9-12)4-2-8-20-15;/h1,3,5-7,9-10,20H,2,4,8H2;1H.
What are the key properties of 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride?
6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 329.75 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 162368247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).