1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol

C12H15FO2 — CID 117199656

IUPAC1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1COc2cccc(F)c21
InChIInChI=1S/C12H15FO2/c1-12(2,14)6-8-7-15-10-5-3-4-9(13)11(8)10/h3-5,8,14H,6-7H2,1-2H3
InChIKeyMAMGDOQMFXFFNS-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.46
Rot. Bonds2

About 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol

1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol (PubChem CID 117199656) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
PubChem CID117199656
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Name1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)CC1COc2cccc(F)c21
InChIInChI=1S/C12H15FO2/c1-12(2,14)6-8-7-15-10-5-3-4-9(13)11(8)10/h3-5,8,14H,6-7H2,1-2H3
InChIKeyMAMGDOQMFXFFNS-UHFFFAOYSA-N
XLogP2.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2,3-dihydro-1H-indol-3-yl)-2-methylpropan-2-ol
CID 117199925
1-(5-chloro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol
CID 117201917
1-(4-fluoro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropan-2-ol
CID 117199739
1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
CID 117200069
1-[(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)methyl]piperazine
CID 117199662
(3R)-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 102429036
2-(4-methyl-2,3-dihydro-1-benzofuran-3-yl)propan-2-ol
CID 117199454
ethyl 2-(5-fluoro-3,4-dihydro-2H-chromen-4-yl)acetate
CID 165145944
3-[4-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-yl]propan-1-amine
CID 117199241
3-[2-(methylamino)ethyl]-2,3-dihydro-1-benzofuran-4-ol
CID 117200214
(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 21221000
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol (CID 117199656) is 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol is CC(C)(O)CC1COc2cccc(F)c21.
What is the InChIKey of 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
The InChIKey is MAMGDOQMFXFFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-12(2,14)6-8-7-15-10-5-3-4-9(13)11(8)10/h3-5,8,14H,6-7H2,1-2H3.
What are the key properties of 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol?
1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol has a molecular weight of 210.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,3-dihydro-1-benzofuran-3-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 117199656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).