5-fluoro-3-propan-2-yl-1-benzofuran

C11H11FO — CID 23568686

IUPAC5-fluoro-3-propan-2-yl-1-benzofuran
SMILESCC(C)c1coc2ccc(F)cc12
InChIInChI=1S/C11H11FO/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7H,1-2H3
InChIKeyKQWRABOHDHOBLU-UHFFFAOYSA-N
MW178.21 g/mol
LogP3.70
Rot. Bonds1

About 5-fluoro-3-propan-2-yl-1-benzofuran

5-fluoro-3-propan-2-yl-1-benzofuran (PubChem CID 23568686) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-fluoro-3-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name5-fluoro-3-propan-2-yl-1-benzofuran
PubChem CID23568686
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name5-fluoro-3-propan-2-yl-1-benzofuran
SMILESCC(C)c1coc2ccc(F)cc12
InChIInChI=1S/C11H11FO/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7H,1-2H3
InChIKeyKQWRABOHDHOBLU-UHFFFAOYSA-N
XLogP3.70
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-tert-butyl-3-propan-2-yl-1-benzofuran
CID 176774938
5-fluoro-3-(propan-2-ylsulfonylmethyl)-1-benzofuran
CID 117174223
5-fluoro-3-(methylsulfanylmethyl)-1-benzofuran
CID 117174338
3-(chloromethyl)-5-fluoro-1-benzofuran
CID 18184314
5-fluoro-1-benzofuran-3-carbaldehyde
CID 25129802
1-[(5-fluoro-1-benzofuran-3-yl)methyl]-4-methylpiperazine
CID 117174212
6-fluoro-4-sulfanylidenechromene-3-carboxylic acid
CID 57209148
3-(ethylsulfanylmethyl)-5-fluoro-1-benzofuran
CID 117174340
1,1-dimethyl-3-[4-[(3-propan-2-yl-1-benzofuran-5-yl)oxy]phenyl]urea
CID 14152806
3-(2-aminobutyl)-6-fluorochromen-4-one
CID 170889079
3-(4-bromophenyl)-5-fluoro-1-benzofuran
CID 10565480
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
CID 117195401

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-propan-2-yl-1-benzofuran?
The IUPAC name of 5-fluoro-3-propan-2-yl-1-benzofuran (CID 23568686) is 5-fluoro-3-propan-2-yl-1-benzofuran.
What is the SMILES notation for 5-fluoro-3-propan-2-yl-1-benzofuran?
The canonical SMILES for 5-fluoro-3-propan-2-yl-1-benzofuran is CC(C)c1coc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-3-propan-2-yl-1-benzofuran?
The InChIKey is KQWRABOHDHOBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-7(2)10-6-13-11-4-3-8(12)5-9(10)11/h3-7H,1-2H3.
What are the key properties of 5-fluoro-3-propan-2-yl-1-benzofuran?
5-fluoro-3-propan-2-yl-1-benzofuran has a molecular weight of 178.21 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-propan-2-yl-1-benzofuran is sourced from PubChem (CID 23568686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).