6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran

C12H13FO2 — CID 174839386

IUPAC6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran
SMILESCC(C)(C)Oc1occ2ccc(F)cc12
InChIInChI=1S/C12H13FO2/c1-12(2,3)15-11-10-6-9(13)5-4-8(10)7-14-11/h4-7H,1-3H3
InChIKeyVUSHFSZOIICYCB-UHFFFAOYSA-N
MW208.23 g/mol
LogP3.75
Rot. Bonds1

About 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran

6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran (PubChem CID 174839386) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran.

Molecular Properties

Compound Name6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran
PubChem CID174839386
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran
SMILESCC(C)(C)Oc1occ2ccc(F)cc12
InChIInChI=1S/C12H13FO2/c1-12(2,3)15-11-10-6-9(13)5-4-8(10)7-14-11/h4-7H,1-3H3
InChIKeyVUSHFSZOIICYCB-UHFFFAOYSA-N
XLogP3.75
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3Z)-2-ethyl-6-fluoro-3-(furan-3-ylmethylidene)inden-1-yl]acetic acid
CID 10286274
2-[(3Z)-6-fluoro-3-(furan-3-ylmethylidene)-2-methylinden-1-yl]acetic acid
CID 10334053
Isobenzofuran
CID 11378474
5-Phenyl-2-methoxyfurane
CID 12216650
2-(Furan-2-yloxy)naphthalene-1,4-dione
CID 164615147
2-Ethoxy-5-phenyl-3-(trifluoromethyl)furan
CID 15685403
3-(3-Fluoropropyl)-2-benzofuran
CID 117678643
Furan-2-yl benzoate
CID 5325846
1(3H)-Isobenzofuranone, 3-phenoxy-
CID 10704416
5-Phenyl-2-ethoxyfurane
CID 13334297
Tert-butyl 1-benzofuran-3-carboxylate
CID 64131787
Methyl 6-fluoro-1-benzofuran-4-carboxylate
CID 130062975

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran?
The IUPAC name of 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran (CID 174839386) is 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran.
What is the SMILES notation for 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran?
The canonical SMILES for 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran is CC(C)(C)Oc1occ2ccc(F)cc12.
What is the InChIKey of 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran?
The InChIKey is VUSHFSZOIICYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-12(2,3)15-11-10-6-9(13)5-4-8(10)7-14-11/h4-7H,1-3H3.
What are the key properties of 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran?
6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran has a molecular weight of 208.23 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(2-methylpropan-2-yl)oxy]-2-benzofuran is sourced from PubChem (CID 174839386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).