2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone

C12H9F3O2 — CID 102650846

IUPAC2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(C1=CCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(16)10-5-2-6-17-10/h1,3-5,7H,2,6H2
InChIKeyBEYGNNVXODFASP-UHFFFAOYSA-N
MW242.20 g/mol
LogP3.19
Rot. Bonds2

About 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone

2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 102650846) has the molecular formula C12H9F3O2 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone
PubChem CID102650846
Molecular FormulaC12H9F3O2
Molecular Weight242.20 g/mol
Exact Mass242.06
IUPAC Name2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(C1=CCCO1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H9F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(16)10-5-2-6-17-10/h1,3-5,7H,2,6H2
InChIKeyBEYGNNVXODFASP-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[3-(trifluoromethyl)benzoyl]phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 162354741
2,3-dihydrofuran-5-yl(naphthalen-2-yl)methanone
CID 10775502
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(3,4-difluorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43338250
2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethanone
CID 159329806
bromo 3-(trifluoromethyl)benzoate
CID 121344380
[4-(aminomethyl)phenyl]-(2,3-dihydrofuran-5-yl)methanone
CID 102652392
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
(2,3-dichlorophenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 63411424
S-(trifluoromethyl) 3-(trifluoromethyl)benzenecarbothioate
CID 132535624

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone (CID 102650846) is 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone is O=C(C1=CCCO1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is BEYGNNVXODFASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O2/c13-12(14,15)9-4-1-3-8(7-9)11(16)10-5-2-6-17-10/h1,3-5,7H,2,6H2.
What are the key properties of 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone?
2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 242.20 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydrofuran-5-yl-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102650846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).