2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone

C17H13F3O — CID 65406837

IUPAC2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C17H13F3O/c18-17(19,20)15-7-5-11(6-8-15)16(21)14-9-12-3-1-2-4-13(12)10-14/h1-8,14H,9-10H2
InChIKeyTZUHVGBINDANRE-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.30
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone

2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 65406837) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone
PubChem CID65406837
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)C1Cc2ccccc2C1
InChIInChI=1S/C17H13F3O/c18-17(19,20)15-7-5-11(6-8-15)16(21)14-9-12-3-1-2-4-13(12)10-14/h1-8,14H,9-10H2
InChIKeyTZUHVGBINDANRE-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone (CID 65406837) is 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)C1Cc2ccccc2C1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is TZUHVGBINDANRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c18-17(19,20)15-7-5-11(6-8-15)16(21)14-9-12-3-1-2-4-13(12)10-14/h1-8,14H,9-10H2.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone?
2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 290.28 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 65406837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).