5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol

C17H15F3O — CID 79755380

IUPAC5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3O/c18-14-8-7-13(15(19)16(14)20)17(21)12-6-5-10-3-1-2-4-11(10)9-12/h5-9,17,21H,1-4H2
InChIKeyRRSCHWZSIIUOCM-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.06
Rot. Bonds2

About 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol

5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol (PubChem CID 79755380) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
PubChem CID79755380
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol
SMILESOC(c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H15F3O/c18-14-8-7-13(15(19)16(14)20)17(21)12-6-5-10-3-1-2-4-11(10)9-12/h5-9,17,21H,1-4H2
InChIKeyRRSCHWZSIIUOCM-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
(3-chloro-4-iodophenyl)-(2,3,4-trifluorophenyl)methanol
CID 103216802
5-[chloro-(4-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 63432035
(2,3-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 61100684
2,3-dihydro-1H-inden-5-yl-(2-methylsulfanylphenyl)methanol
CID 79217290
5-[bromo-(2,3-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198009
(5-bromo-2-methylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanol
CID 65307271
6-[bromo-(3-bromo-4-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 107957814
(2-bromo-3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 107538465

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol (CID 79755380) is 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol is OC(c1ccc2c(c1)CCCC2)c1ccc(F)c(F)c1F.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol?
The InChIKey is RRSCHWZSIIUOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c18-14-8-7-13(15(19)16(14)20)17(21)12-6-5-10-3-1-2-4-11(10)9-12/h5-9,17,21H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol?
5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol has a molecular weight of 292.30 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalen-2-yl-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 79755380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).