(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol

C12H14F3NO — CID 6926181

IUPAC(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCCN1CC[C@@H](O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3NO/c1-2-16-6-5-11(17)9-7-8(12(13,14)15)3-4-10(9)16/h3-4,7,11,17H,2,5-6H2,1H3/t11-/m1/s1
InChIKeyHGYZSIFSAJUBPM-LLVKDONJSA-N
MW245.24 g/mol
LogP2.97
Rot. Bonds1

About (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol

(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 6926181) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
PubChem CID6926181
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol
SMILESCCN1CC[C@@H](O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3NO/c1-2-16-6-5-11(17)9-7-8(12(13,14)15)3-4-10(9)16/h3-4,7,11,17H,2,5-6H2,1H3/t11-/m1/s1
InChIKeyHGYZSIFSAJUBPM-LLVKDONJSA-N
XLogP2.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643900
ethane;1-ethyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline
CID 143643842
[2-cyclopropyl-4-(trifluoromethyl)phenyl]boronic acid
CID 66520859
4-ethylsulfonyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 22735297
(1R)-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 29415647
6-(trifluoromethyl)-1,2,3,4-tetrahydroquinolin-4-ol
CID 23160669
4-(propylamino)-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylic acid
CID 22735345
1-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625986
1-(4-methylpent-1-en-2-yl)-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-amine
CID 134189009
1-[1-propan-2-yl-5-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-one
CID 117201707
tert-butyl 4-ethylsulfinyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 22735287
[1-methyl-6-(trifluoromethyl)spiro[2,4-dihydroquinoline-3,1'-cyclopropane]-4-yl]methanamine
CID 82625624

Frequently Asked Questions

What is the IUPAC name of (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol (CID 6926181) is (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol is CCN1CC[C@@H](O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is HGYZSIFSAJUBPM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-2-16-6-5-11(17)9-7-8(12(13,14)15)3-4-10(9)16/h3-4,7,11,17H,2,5-6H2,1H3/t11-/m1/s1.
What are the key properties of (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol?
(4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 245.24 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-ethyl-6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 6926181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).