7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone

C15H15F3O — CID 114971292

IUPAC7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1C2CCCCC21
InChIInChI=1S/C15H15F3O/c16-15(17,18)12-8-4-3-7-11(12)14(19)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2
InChIKeyOXCSCTFHJXAVFD-UHFFFAOYSA-N
MW268.28 g/mol
LogP4.32
Rot. Bonds2

About 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone

7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 114971292) has the molecular formula C15H15F3O and a molecular weight of 268.28 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
PubChem CID114971292
Molecular FormulaC15H15F3O
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccccc1C(F)(F)F)C1C2CCCCC21
InChIInChI=1S/C15H15F3O/c16-15(17,18)12-8-4-3-7-11(12)14(19)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2
InChIKeyOXCSCTFHJXAVFD-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724140
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
cyclopentyl 2-(trifluoromethyl)benzoate
CID 599391
cyclohexyl 2-(trifluoromethyl)benzoate
CID 599398
9-thiabicyclo[3.3.1]nonan-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 171941524
7-bicyclo[4.1.0]heptanyl-(3-bromo-2-fluorophenyl)methanone
CID 106647448
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
pyrrolidin-3-yl-[2-(trifluoromethyl)phenyl]methanone
CID 116568380
1,4-dioxan-2-yl-[2-(trifluoromethyl)phenyl]methanone
CID 65350786
2-cyclopropyl-1-[2-(trifluoromethyl)phenyl]propan-1-one
CID 114971304
(3-phenyloxiran-2-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 138963219
1-cyclopropyl-4-[2-(trifluoromethyl)phenyl]but-2-ene-1,4-dione
CID 150576396

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone (CID 114971292) is 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone is O=C(c1ccccc1C(F)(F)F)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is OXCSCTFHJXAVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3O/c16-15(17,18)12-8-4-3-7-11(12)14(19)13-9-5-1-2-6-10(9)13/h3-4,7-10,13H,1-2,5-6H2.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone?
7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 268.28 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 114971292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).