[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone

C15H12F4O2 — CID 107291275

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1C
InChIInChI=1S/C15H12F4O2/c1-7-8(2)21-9(3)13(7)14(20)10-4-5-11(12(16)6-10)15(17,18)19/h4-6H,1-3H3
InChIKeyZACBMHFDQBFAMA-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.59
Rot. Bonds2

About [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone

[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 107291275) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID107291275
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1C
InChIInChI=1S/C15H12F4O2/c1-7-8(2)21-9(3)13(7)14(20)10-4-5-11(12(16)6-10)15(17,18)19/h4-6H,1-3H3
InChIKeyZACBMHFDQBFAMA-UHFFFAOYSA-N
XLogP4.59
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bis[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 140930579
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
3-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 2734709
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methyl-3-pyridinyl)methanone
CID 107288338
(2,4-dichlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291213
[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
CID 107291233
(4-bromo-2-fluorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288344
(3-bromo-4-chlorophenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288265
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methyloxolan-2-yl)methanone
CID 107288226
(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151835

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone (CID 107291275) is [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2ccc(C(F)(F)F)c(F)c2)c1C.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is ZACBMHFDQBFAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-7-8(2)21-9(3)13(7)14(20)10-4-5-11(12(16)6-10)15(17,18)19/h4-6H,1-3H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone?
[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 300.25 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 107291275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).