1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one

C13H13F3O — CID 114601765

IUPAC1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C13H13F3O/c14-13(15,16)8-12(17)11-7-2-1-6-10(11)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyGHMNFOKRRHDBSJ-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.09
Rot. Bonds3

About 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one

1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one (PubChem CID 114601765) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
PubChem CID114601765
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)c1ccccc1C1CCC1
InChIInChI=1S/C13H13F3O/c14-13(15,16)8-12(17)11-7-2-1-6-10(11)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2
InChIKeyGHMNFOKRRHDBSJ-UHFFFAOYSA-N
XLogP4.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclobutylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146834
4-chloro-1-(2-cyclobutylphenyl)butan-1-one
CID 114601922
1-(2-cyclobutylphenyl)-3,4,4-trimethylpentan-1-one
CID 115813607
3-amino-1-(2-cycloheptylphenyl)propan-1-one
CID 117365935
2-(1-aminocyclopentyl)-1-(2-cyclobutylphenyl)ethanone
CID 114607600
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
1-(2-cyclobutylphenyl)-2-propan-2-ylsulfanylethanone
CID 114601876
2-(4-bromophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114601706
2-(3-chloro-2-fluorophenyl)-1-(2-cyclobutylphenyl)ethanone
CID 114602079
1-(2-cyclobutylphenyl)-2-pyrrolidin-2-ylethanone
CID 114607499
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
2-cyclopentylbenzohydrazide
CID 68852694

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one (CID 114601765) is 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)c1ccccc1C1CCC1.
What is the InChIKey of 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one?
The InChIKey is GHMNFOKRRHDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c14-13(15,16)8-12(17)11-7-2-1-6-10(11)9-4-3-5-9/h1-2,6-7,9H,3-5,8H2.
What are the key properties of 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one?
1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one has a molecular weight of 242.24 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutylphenyl)-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 114601765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).