1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol

C18H18F3NO — CID 160670575

IUPAC1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc2c(c1)CCCN2Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO/c19-18(20,21)17(23)15-8-9-16-14(11-15)7-4-10-22(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,23H,4,7,10,12H2
InChIKeyRMWLMWRPKKGMAW-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.24
Rot. Bonds3

About 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol

1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol (PubChem CID 160670575) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol
PubChem CID160670575
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol
SMILESOC(c1ccc2c(c1)CCCN2Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H18F3NO/c19-18(20,21)17(23)15-8-9-16-14(11-15)7-4-10-22(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,23H,4,7,10,12H2
InChIKeyRMWLMWRPKKGMAW-UHFFFAOYSA-N
XLogP4.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]propanedinitrile
CID 54183968
2,2,2-trifluoroethyl 1-benzyl-2,3-dihydroindole-5-carboxylate
CID 156703137
1-benzyl-5-chloro-2,3-dihydroindole
CID 12733465
amino-[1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-butoxycarbonyl-butoxycarbonyloxyazanium
CID 19787286
(2R)-1-(1-benzyl-2,3-dihydroindol-5-yl)propan-2-amine
CID 125041450
(1S)-1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]ethane-1,2-diol
CID 91826256
N-[1-[(4-propan-2-ylphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]acetamide
CID 71811966
2-[4-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 90013554
1-benzyl-7-prop-1-en-2-yl-3,4-dihydro-2H-quinoline
CID 46894465
1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol
CID 154298724
1-[(3-carbamoylphenyl)methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 75455915
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol (CID 160670575) is 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol is OC(c1ccc2c(c1)CCCN2Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol?
The InChIKey is RMWLMWRPKKGMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c19-18(20,21)17(23)15-8-9-16-14(11-15)7-4-10-22(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11,17,23H,4,7,10,12H2.
What are the key properties of 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol?
1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol has a molecular weight of 321.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 160670575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).