(2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol

C17H14F5NO2 — CID 139090603

IUPAC(2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol
SMILESCOc1ccc2c(c1)[C@](O)(C(F)(F)F)C(F)(F)[C@@H](c1ccccc1)N2
InChIInChI=1S/C17H14F5NO2/c1-25-11-7-8-13-12(9-11)15(24,17(20,21)22)16(18,19)14(23-13)10-5-3-2-4-6-10/h2-9,14,23-24H,1H3/t14-,15-/m1/s1
InChIKeyMBECIFZETSZIQH-HUUCEWRRSA-N
MW359.29 g/mol
LogP4.25
Rot. Bonds2

About (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol

(2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol (PubChem CID 139090603) has the molecular formula C17H14F5NO2 and a molecular weight of 359.29 g/mol. Its IUPAC name is (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol.

Molecular Properties

Compound Name(2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol
PubChem CID139090603
Molecular FormulaC17H14F5NO2
Molecular Weight359.29 g/mol
Exact Mass359.09
IUPAC Name(2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol
SMILESCOc1ccc2c(c1)[C@](O)(C(F)(F)F)C(F)(F)[C@@H](c1ccccc1)N2
InChIInChI=1S/C17H14F5NO2/c1-25-11-7-8-13-12(9-11)15(24,17(20,21)22)16(18,19)14(23-13)10-5-3-2-4-6-10/h2-9,14,23-24H,1H3/t14-,15-/m1/s1
InChIKeyMBECIFZETSZIQH-HUUCEWRRSA-N
XLogP4.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol with MolForge

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Related Compounds

Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
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CID 71655478
(3aS,4R,9bS)-8-butoxy-4-cyclohexyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
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Icmt-IN-10
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(4aS,5S,10bS)-9-butoxy-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 71655744
6-Hydroxy-5-(2,4-difluorophenyl)aminomethyl-3, 4-dihydrobenzopyran
CID 13564462
7-[(2,4-difluoroanilino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 13564465
(4aS,5R,10bS)-5-phenyl-9-(trifluoromethoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 46881905
6-Methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 12715494
6-(Benzyloxy)-1,2,3,4-tetrahydroquinoline
CID 22339290
6-Methoxy-1,2,3,4-tetrahydroquinolin-4-amine
CID 54594251
(2S,3S,4R)-6-methoxy-4-(4-methoxyphenyl)-3-methyl-2-phenyl-1,2,3,4-tetrahydroquinoline
CID 72715094

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol?
The IUPAC name of (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol (CID 139090603) is (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol.
What is the SMILES notation for (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol?
The canonical SMILES for (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol is COc1ccc2c(c1)[C@](O)(C(F)(F)F)C(F)(F)[C@@H](c1ccccc1)N2.
What is the InChIKey of (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol?
The InChIKey is MBECIFZETSZIQH-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H14F5NO2/c1-25-11-7-8-13-12(9-11)15(24,17(20,21)22)16(18,19)14(23-13)10-5-3-2-4-6-10/h2-9,14,23-24H,1H3/t14-,15-/m1/s1.
What are the key properties of (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol?
(2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol has a molecular weight of 359.29 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-3,3-difluoro-6-methoxy-2-phenyl-4-(trifluoromethyl)-1,2-dihydroquinolin-4-ol is sourced from PubChem (CID 139090603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).