5-(trifluoromethyl)-2,3-dihydro-1-benzofuran

C9H7F3O — CID 83397414

IUPAC5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H7F3O/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-2,5H,3-4H2
InChIKeyVRRDUAFOEKDXPB-UHFFFAOYSA-N
MW188.15 g/mol
LogP2.64
Rot. Bonds

About 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran

5-(trifluoromethyl)-2,3-dihydro-1-benzofuran (PubChem CID 83397414) has the molecular formula C9H7F3O and a molecular weight of 188.15 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
PubChem CID83397414
Molecular FormulaC9H7F3O
Molecular Weight188.15 g/mol
Exact Mass188.04
IUPAC Name5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
SMILESFC(F)(F)c1ccc2c(c1)CCO2
InChIInChI=1S/C9H7F3O/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-2,5H,3-4H2
InChIKeyVRRDUAFOEKDXPB-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

benzoic acid;ethane;5-(trifluoromethyl)-2,3-dihydro-1-benzofuran
CID 172603158
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropane-1-thiol
CID 116866512
3-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutan-1-amine
CID 22592399
2,3-dihydro-1-benzofuran-5-yl-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105180243
2-chloro-6-(2,3-dihydro-1-benzofuran-5-yl)-4-(trifluoromethyl)pyridine
CID 102716482
5-(4-chloro-2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 79837255
1-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylethanamine
CID 104542207
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2,2-trifluoroethanamine
CID 43198478
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-ol
CID 116841059
3-(3,4-dihydro-2H-chromen-6-yl)-3,3-difluoropropan-1-amine
CID 116838573
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
5-[3-(trifluoromethyl)oxetan-3-yl]-2,3-dihydro-1-benzofuran
CID 116875895

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran (CID 83397414) is 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran is FC(F)(F)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
The InChIKey is VRRDUAFOEKDXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-2,5H,3-4H2.
What are the key properties of 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran?
5-(trifluoromethyl)-2,3-dihydro-1-benzofuran has a molecular weight of 188.15 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 83397414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).