7-fluoro-2-propan-2-yl-1-benzofuran

C11H11FO — CID 88991552

IUPAC7-fluoro-2-propan-2-yl-1-benzofuran
SMILESCC(C)c1cc2cccc(F)c2o1
InChIInChI=1S/C11H11FO/c1-7(2)10-6-8-4-3-5-9(12)11(8)13-10/h3-7H,1-2H3
InChIKeyTZMZAAODEKQIKA-UHFFFAOYSA-N
MW178.21 g/mol
LogP3.70
Rot. Bonds1

About 7-fluoro-2-propan-2-yl-1-benzofuran

7-fluoro-2-propan-2-yl-1-benzofuran (PubChem CID 88991552) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is 7-fluoro-2-propan-2-yl-1-benzofuran.

Molecular Properties

Compound Name7-fluoro-2-propan-2-yl-1-benzofuran
PubChem CID88991552
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name7-fluoro-2-propan-2-yl-1-benzofuran
SMILESCC(C)c1cc2cccc(F)c2o1
InChIInChI=1S/C11H11FO/c1-7(2)10-6-8-4-3-5-9(12)11(8)13-10/h3-7H,1-2H3
InChIKeyTZMZAAODEKQIKA-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

(1R)-1-(7-fluoro-1-benzofuran-2-yl)butan-1-amine
CID 165455144
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
1-(7-fluoro-1-benzofuran-2-yl)-N,4-dimethylpentan-1-amine
CID 114728123
1-(7-fluoro-1-benzofuran-2-yl)-2-methoxy-3-methylbutan-1-ol
CID 114727339
1-(7-fluoro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65439621
[1-(7-fluoro-1-benzofuran-2-yl)-2-methoxypropyl]hydrazine
CID 105247114
2-ethoxy-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728785
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036
1-(7-fluoro-1-benzofuran-2-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047391
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-propan-2-yl-1-benzofuran?
The IUPAC name of 7-fluoro-2-propan-2-yl-1-benzofuran (CID 88991552) is 7-fluoro-2-propan-2-yl-1-benzofuran.
What is the SMILES notation for 7-fluoro-2-propan-2-yl-1-benzofuran?
The canonical SMILES for 7-fluoro-2-propan-2-yl-1-benzofuran is CC(C)c1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-2-propan-2-yl-1-benzofuran?
The InChIKey is TZMZAAODEKQIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO/c1-7(2)10-6-8-4-3-5-9(12)11(8)13-10/h3-7H,1-2H3.
What are the key properties of 7-fluoro-2-propan-2-yl-1-benzofuran?
7-fluoro-2-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 7-fluoro-2-propan-2-yl-1-benzofuran is sourced from PubChem (CID 88991552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).