1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone

C17H13F3O — CID 107126876

IUPAC1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H13F3O/c18-14-8-13(9-15(19)16(14)20)17(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2
InChIKeyGBTZOHYUMNMSLH-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.09
Rot. Bonds2

About 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone

1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone (PubChem CID 107126876) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
PubChem CID107126876
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone
SMILESO=C(c1cc(F)c(F)c(F)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H13F3O/c18-14-8-13(9-15(19)16(14)20)17(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2
InChIKeyGBTZOHYUMNMSLH-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone (CID 107126876) is 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone is O=C(c1cc(F)c(F)c(F)c1)C1CCc2ccccc2C1.
What is the InChIKey of 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone?
The InChIKey is GBTZOHYUMNMSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c18-14-8-13(9-15(19)16(14)20)17(21)12-6-5-10-3-1-2-4-11(10)7-12/h1-4,8-9,12H,5-7H2.
What are the key properties of 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone?
1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone has a molecular weight of 290.28 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrahydronaphthalen-2-yl-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 107126876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).