1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol

C17H15F3O — CID 107127371

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1c(F)cc(F)cc1F)C1CCc2ccccc2C1
InChIInChI=1S/C17H15F3O/c18-13-8-14(19)16(15(20)9-13)17(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12,17,21H,5-7H2
InChIKeyQMMDJYWHOQBBIT-UHFFFAOYSA-N
MW292.30 g/mol
LogP3.94
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol

1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol (PubChem CID 107127371) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
PubChem CID107127371
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol
SMILESOC(c1c(F)cc(F)cc1F)C1CCc2ccccc2C1
InChIInChI=1S/C17H15F3O/c18-13-8-14(19)16(15(20)9-13)17(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12,17,21H,5-7H2
InChIKeyQMMDJYWHOQBBIT-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-fluoro-3-pyridinyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 65410799
(2,3-difluoro-4-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanol
CID 107512915
1-(3-fluoro-5-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 79697550
2-(4-fluoro-2-methylphenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 114347478
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 103048254
[(3-fluoro-5-methylphenyl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]hydrazine
CID 105234720
2-(4-bromo-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65411188
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65410795
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 107128830
oxolan-3-yl-(2,4,6-trifluorophenyl)methanol
CID 61277498
2,3-dihydro-1H-inden-2-yl-(3-fluoro-4-methylphenyl)methanol
CID 107128521
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol (CID 107127371) is 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol is OC(c1c(F)cc(F)cc1F)C1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol?
The InChIKey is QMMDJYWHOQBBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c18-13-8-14(19)16(15(20)9-13)17(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12,17,21H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol?
1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol has a molecular weight of 292.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl-(2,4,6-trifluorophenyl)methanol is sourced from PubChem (CID 107127371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).