2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C18H21FO2 — CID 114724478

IUPAC2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C18H21FO2/c1-16(2)12-7-8-17(3,10-12)18(16,20)14-9-11-5-4-6-13(19)15(11)21-14/h4-6,9,12,20H,7-8,10H2,1-3H3
InChIKeyQJLGNJFDOZQWHZ-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.61
Rot. Bonds1

About 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 114724478) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID114724478
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)c1cc2cccc(F)c2o1
InChIInChI=1S/C18H21FO2/c1-16(2)12-7-8-17(3,10-12)18(16,20)14-9-11-5-4-6-13(19)15(11)21-14/h4-6,9,12,20H,7-8,10H2,1-3H3
InChIKeyQJLGNJFDOZQWHZ-UHFFFAOYSA-N
XLogP4.61
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

2-(1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 114724481
3-ethyl-1-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-ol
CID 114723863
2-(3-chloro-1-methylcyclopentyl)-7-fluoro-1-benzofuran
CID 114734029
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
2-(2,3-difluoro-4-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 107512332
4-(7-fluoro-1-benzofuran-2-yl)-2-propyloxan-4-ol
CID 114723797
8-(7-fluoro-1-benzofuran-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 114724054
1,3,3-trimethyl-2-quinolin-8-ylbicyclo[2.2.1]heptan-2-ol
CID 115401286
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
2-[(2,3-difluorophenyl)methyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401287
2-[6-(1-hydroxyethyl)-2-pyridinyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 102381808
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107187565

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 114724478) is 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is QJLGNJFDOZQWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-16(2)12-7-8-17(3,10-12)18(16,20)14-9-11-5-4-6-13(19)15(11)21-14/h4-6,9,12,20H,7-8,10H2,1-3H3.
What are the key properties of 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 288.36 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1-benzofuran-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 114724478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).