(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone

C13H9F3O3 — CID 104799403

IUPAC(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccoc1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H9F3O3/c1-8-6-7-18-12(8)11(17)9-4-2-3-5-10(9)19-13(14,15)16/h2-7H,1H3
InChIKeySNEMDSGRKPWLGX-UHFFFAOYSA-N
MW270.21 g/mol
LogP3.72
Rot. Bonds3

About (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone

(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone (PubChem CID 104799403) has the molecular formula C13H9F3O3 and a molecular weight of 270.21 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
PubChem CID104799403
Molecular FormulaC13H9F3O3
Molecular Weight270.21 g/mol
Exact Mass270.05
IUPAC Name(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone
SMILESCc1ccoc1C(=O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H9F3O3/c1-8-6-7-18-12(8)11(17)9-4-2-3-5-10(9)19-13(14,15)16/h2-7H,1H3
InChIKeySNEMDSGRKPWLGX-UHFFFAOYSA-N
XLogP3.72
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-bromo-2-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970316
(2-methyl-3-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 105094746
(6-methyl-2-pyridinyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 63553798
2-(trifluoromethoxy)benzoate
CID 6933714
(2-bromo-4-methylphenyl)-[2-(trifluoromethoxy)phenyl]methanone
CID 114970319
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
pyridin-4-yl-[2-(trifluoromethoxy)phenyl]methanone
CID 62789914
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019
(3-methylfuran-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 104799584
(3-bromofuran-2-yl)-(2-methoxyphenyl)methanone
CID 63942621
N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 115743509
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone (CID 104799403) is (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone is Cc1ccoc1C(=O)c1ccccc1OC(F)(F)F.
What is the InChIKey of (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
The InChIKey is SNEMDSGRKPWLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O3/c1-8-6-7-18-12(8)11(17)9-4-2-3-5-10(9)19-13(14,15)16/h2-7H,1H3.
What are the key properties of (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone?
(3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone has a molecular weight of 270.21 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[2-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 104799403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).