(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone

C14H13FO2 — CID 107004043

IUPAC(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESCC1(C)CC1C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H13FO2/c1-14(2)7-10(14)13(16)12-6-8-5-9(15)3-4-11(8)17-12/h3-6,10H,7H2,1-2H3
InChIKeyOGXWZKLUWYAOFE-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.80
Rot. Bonds2

About (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone

(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 107004043) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID107004043
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESCC1(C)CC1C(=O)c1cc2cc(F)ccc2o1
InChIInChI=1S/C14H13FO2/c1-14(2)7-10(14)13(16)12-6-8-5-9(15)3-4-11(8)17-12/h3-6,10H,7H2,1-2H3
InChIKeyOGXWZKLUWYAOFE-UHFFFAOYSA-N
XLogP3.80
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114725484
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 107005479
(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone
CID 114725865
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 129197806
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
[(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 107005864
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
2,2-diethoxy-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114725706

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone (CID 107004043) is (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone is CC1(C)CC1C(=O)c1cc2cc(F)ccc2o1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is OGXWZKLUWYAOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-14(2)7-10(14)13(16)12-6-8-5-9(15)3-4-11(8)17-12/h3-6,10H,7H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 232.25 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107004043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).