(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

C16H14F3N — CID 122219659

IUPAC(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)[C@H]1Cc2ccccc2N[C@H]1c1ccccc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)13-10-12-8-4-5-9-14(12)20-15(13)11-6-2-1-3-7-11/h1-9,13,15,20H,10H2/t13-,15-/m0/s1
InChIKeyQWWXIHPYEKBMOR-ZFWWWQNUSA-N
MW277.29 g/mol
LogP4.57
Rot. Bonds1

About (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 122219659) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID122219659
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
SMILESFC(F)(F)[C@H]1Cc2ccccc2N[C@H]1c1ccccc1
InChIInChI=1S/C16H14F3N/c17-16(18,19)13-10-12-8-4-5-9-14(12)20-15(13)11-6-2-1-3-7-11/h1-9,13,15,20H,10H2/t13-,15-/m0/s1
InChIKeyQWWXIHPYEKBMOR-ZFWWWQNUSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3S)-3-ethyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 70994764
(2R)-2-phenyl-2,3-dihydro-1H-indole
CID 7004228
3-butyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 141481871
(2S,3S)-2-(4-methoxyphenyl)-3-(trifluoromethylsulfanyl)-1,2,3,4-tetrahydroquinoline
CID 132565219
(2S,3S)-2-phenyl-3-(trifluoromethyl)piperidine
CID 95374690
(2S)-2-[(2S)-2,3-dihydro-1H-indol-2-yl]-2,3-dihydro-1H-indole
CID 139181598
(2R,3S,6R)-6-methyl-2-phenyl-3-(trifluoromethyl)piperidine
CID 134970046
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251
2-(2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 14668660
2-tert-butyl-1,2,3,4-tetrahydroquinolin-3-ol
CID 165467715
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline (CID 122219659) is (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is FC(F)(F)[C@H]1Cc2ccccc2N[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QWWXIHPYEKBMOR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)13-10-12-8-4-5-9-14(12)20-15(13)11-6-2-1-3-7-11/h1-9,13,15,20H,10H2/t13-,15-/m0/s1.
What are the key properties of (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline?
(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 277.29 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 122219659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).