(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone

C17H13F3O — CID 115807772

IUPAC(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3O/c18-14-9-8-13(15(19)16(14)20)17(21)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2
InChIKeyJQCABHKWIAFLPE-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.60
Rot. Bonds3

About (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone

(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 115807772) has the molecular formula C17H13F3O and a molecular weight of 290.28 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID115807772
Molecular FormulaC17H13F3O
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone
SMILESO=C(c1ccc(C2CCC2)cc1)c1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3O/c18-14-9-8-13(15(19)16(14)20)17(21)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2
InChIKeyJQCABHKWIAFLPE-UHFFFAOYSA-N
XLogP4.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.60
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 (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone (CID 115807772) is (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone is O=C(c1ccc(C2CCC2)cc1)c1ccc(F)c(F)c1F.
What is the InChIKey of (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is JQCABHKWIAFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3O/c18-14-9-8-13(15(19)16(14)20)17(21)12-6-4-11(5-7-12)10-2-1-3-10/h4-10H,1-3H2.
What are the key properties of (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone?
(4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 290.28 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 115807772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).