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

C16H14F3NO — CID 164550227

IUPAC2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)Oc1ccc(C2CCc3ccccc3N2)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15/h1-6,8-9,15,20H,7,10H2
InChIKeyNFDIPSWQRJZVTL-UHFFFAOYSA-N
MW293.29 g/mol
LogP4.68
Rot. Bonds2

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

2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 164550227) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
PubChem CID164550227
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)Oc1ccc(C2CCc3ccccc3N2)cc1
InChIInChI=1S/C16H14F3NO/c17-16(18,19)21-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15/h1-6,8-9,15,20H,7,10H2
InChIKeyNFDIPSWQRJZVTL-UHFFFAOYSA-N
XLogP4.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-naphthalen-2-yl-1,2,3,4-tetrahydroquinoline
CID 102250958
(2R)-2-(3,5-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 122382632
5-bromo-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,2,3,4-tetrahydroquinoline
CID 59009817
(2S)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 102598226
7-methoxy-2-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline
CID 77142132
2-(3-fluoro-5-methylphenyl)-1,2,3,4-tetrahydroquinoline
CID 79691457
(2S)-2-phenyl-1,2,3,4-tetrahydrobenzo[g]quinoline
CID 101474621
piperidin-1-yl-[4-(1,2,3,4-tetrahydroquinolin-2-yl)phenyl]methanone
CID 164550223
6-(1,2,3,4-tetrahydroquinolin-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 164550089
(2R)-2-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroquinoline
CID 95241931
trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 91657528
2-pyridin-2-yl-1,2,3,4-tetrahydroquinoline
CID 90409822

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline (CID 164550227) is 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is FC(F)(F)Oc1ccc(C2CCc3ccccc3N2)cc1.
What is the InChIKey of 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is NFDIPSWQRJZVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO/c17-16(18,19)21-13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)20-15/h1-6,8-9,15,20H,7,10H2.
What are the key properties of 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline?
2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 293.29 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 164550227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).