[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone

C17H15F3O — CID 115812361

IUPAC[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
SMILESCC(C)Cc1cccc(C(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H15F3O/c1-10(2)8-11-4-3-5-12(9-11)17(21)13-6-7-14(18)16(20)15(13)19/h3-7,9-10H,8H2,1-2H3
InChIKeyPPEAUBBPMVFFAM-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.53
Rot. Bonds4

About [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone

[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 115812361) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
PubChem CID115812361
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone
SMILESCC(C)Cc1cccc(C(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C17H15F3O/c1-10(2)8-11-4-3-5-12(9-11)17(21)13-6-7-14(18)16(20)15(13)19/h3-7,9-10H,8H2,1-2H3
InChIKeyPPEAUBBPMVFFAM-UHFFFAOYSA-N
XLogP4.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.53
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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Related Compounds

(4-chloro-2-fluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543206
(2,6-difluorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543370
(2,4-dichlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812297
(4-fluoro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543423
fluoro 3-(2-methylpropyl)benzoate
CID 176661814
[3-(dimethylamino)phenyl]-(2,3,4-trifluorophenyl)methanone
CID 105099010
(3-chloro-2-methylphenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 107101871
(2,5-dibromophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812427
2-(2-fluorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanone
CID 116543144
(5-bromo-2-chlorophenyl)-[3-(2-methylpropyl)phenyl]methanone
CID 115812294
[3-(2-methylpropyl)phenyl]-pyridin-4-ylmethanone
CID 116543089
3-(2-methylpropyl)benzamide
CID 23130390

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone (CID 115812361) is [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone is CC(C)Cc1cccc(C(=O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is PPEAUBBPMVFFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c1-10(2)8-11-4-3-5-12(9-11)17(21)13-6-7-14(18)16(20)15(13)19/h3-7,9-10H,8H2,1-2H3.
What are the key properties of [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone?
[3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 292.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)phenyl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 115812361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).