(5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol

C12H14F3NO — CID 124746878

IUPAC(5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol
SMILESCC1(C)Cc2nc(C(F)(F)F)ccc2[C@@H](O)C1
InChIInChI=1S/C12H14F3NO/c1-11(2)5-8-7(9(17)6-11)3-4-10(16-8)12(13,14)15/h3-4,9,17H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyOCWKSUMGXXGMMC-VIFPVBQESA-N
MW245.24 g/mol
LogP3.11
Rot. Bonds

About (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol

(5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol (PubChem CID 124746878) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol.

Molecular Properties

Compound Name(5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol
PubChem CID124746878
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name(5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol
SMILESCC1(C)Cc2nc(C(F)(F)F)ccc2[C@@H](O)C1
InChIInChI=1S/C12H14F3NO/c1-11(2)5-8-7(9(17)6-11)3-4-10(16-8)12(13,14)15/h3-4,9,17H,5-6H2,1-2H3/t9-/m0/s1
InChIKeyOCWKSUMGXXGMMC-VIFPVBQESA-N
XLogP3.11
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-ol
CID 130115220
7,7-dimethyl-2-(2-phenylethenyl)-6,8-dihydro-5H-quinolin-5-ol
CID 174523969
(3R)-2'-iodo-7,7-dimethyl-4-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-ol
CID 162589470
1-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]-3,3,5-trimethylcyclohexan-1-ol
CID 106971445
4-(cyclopenten-1-yl)-3-[(R)-hydroxy-[6-(trifluoromethyl)-3-pyridinyl]methyl]-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
CID 162589476
[(5S)-5-hydroxy-2-(1-methoxyethyl)-7,7-dimethyl-4-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 58119764
(5S)-3-[(R)-hydroxy-[4-(trifluoromethyl)phenyl]methyl]-4-iodo-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
CID 66761894
(12R)-19-methoxy-5,5,19-trimethyl-16-(trifluoromethyl)spiro[11-oxa-2-azapentacyclo[10.7.1.03,8.09,20.013,18]icosa-1,3(8),9(20),13(18),14,16-hexaene-10,4'-oxane]-7-ol
CID 162590696
9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-ol
CID 74949143
[(5S)-4-cyclohexyl-2-cyclopentyl-5-hydroxy-7,7-dimethyl-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46880281
(3R,9S)-4-(1-methoxyethyl)-7,7-dimethyl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,3'-oxolane]-9-ol
CID 163466825
3-[(R)-hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-4,7,7-trimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-5-ol
CID 162590706

Frequently Asked Questions

What is the IUPAC name of (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol?
The IUPAC name of (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol (CID 124746878) is (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol.
What is the SMILES notation for (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol?
The canonical SMILES for (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol is CC1(C)Cc2nc(C(F)(F)F)ccc2[C@@H](O)C1.
What is the InChIKey of (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol?
The InChIKey is OCWKSUMGXXGMMC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14F3NO/c1-11(2)5-8-7(9(17)6-11)3-4-10(16-8)12(13,14)15/h3-4,9,17H,5-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol?
(5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol has a molecular weight of 245.24 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7,7-dimethyl-2-(trifluoromethyl)-6,8-dihydro-5H-quinolin-5-ol is sourced from PubChem (CID 124746878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).