(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone

C16H17FO2 — CID 107187565

IUPAC(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCC1(C)CCCC1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H17FO2/c1-16(2)8-4-6-11(16)14(18)13-9-10-5-3-7-12(17)15(10)19-13/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyISHYDKJVDMLJPN-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.58
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone

(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 107187565) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID107187565
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESCC1(C)CCCC1C(=O)c1cc2cccc(F)c2o1
InChIInChI=1S/C16H17FO2/c1-16(2)8-4-6-11(16)14(18)13-9-10-5-3-7-12(17)15(10)19-13/h3,5,7,9,11H,4,6,8H2,1-2H3
InChIKeyISHYDKJVDMLJPN-UHFFFAOYSA-N
XLogP4.58
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
[1-(dimethylamino)cyclopentyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114725645
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
CID 114736767
[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
(7-fluoro-1-benzofuran-2-yl)-(4-methylmorpholin-2-yl)methanone
CID 114725668
2-cycloheptyl-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 115809805
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
[1-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737168
2-(1-aminocyclobutyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanone
CID 114736987

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 107187565) is (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone is CC1(C)CCCC1C(=O)c1cc2cccc(F)c2o1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is ISHYDKJVDMLJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-16(2)8-4-6-11(16)14(18)13-9-10-5-3-7-12(17)15(10)19-13/h3,5,7,9,11H,4,6,8H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 260.31 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 107187565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).