5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran

C11H11F3O2 — CID 134850979

IUPAC5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)C(CC(F)(F)F)CO2
InChIInChI=1S/C11H11F3O2/c1-15-8-2-3-10-9(4-8)7(6-16-10)5-11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKeyMGVFFCOHTXYEJK-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.12
Rot. Bonds2

About 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran

5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran (PubChem CID 134850979) has the molecular formula C11H11F3O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
PubChem CID134850979
Molecular FormulaC11H11F3O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)C(CC(F)(F)F)CO2
InChIInChI=1S/C11H11F3O2/c1-15-8-2-3-10-9(4-8)7(6-16-10)5-11(12,13)14/h2-4,7H,5-6H2,1H3
InChIKeyMGVFFCOHTXYEJK-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117202343
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
CID 102492939
(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
2-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)ethylcarbamic acid
CID 68730092
6-methoxy-3-nitro-4-(trichloromethyl)-3,4-dihydro-2H-chromene
CID 121221211
[(3R)-6-methoxy-2,3-dihydro-1-benzofuran-3-yl]methanol
CID 67361681
6-methoxy-N-(2,2,2-trifluoroethoxy)-3,4-dihydro-2H-chromen-4-amine
CID 82711567
(4R)-6-methoxy-4-(2,2,2-trifluoroethyl)-3,4-dihydro-2H-1λ6,2-benzothiazine 1,1-dioxide
CID 155089073

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran (CID 134850979) is 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran is COc1ccc2c(c1)C(CC(F)(F)F)CO2.
What is the InChIKey of 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is MGVFFCOHTXYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2/c1-15-8-2-3-10-9(4-8)7(6-16-10)5-11(12,13)14/h2-4,7H,5-6H2,1H3.
What are the key properties of 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran?
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 232.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 134850979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).