2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol

C13H13FO2 — CID 114727065

IUPAC2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
SMILESOC(CC1CC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H13FO2/c14-10-3-1-2-9-7-12(16-13(9)10)11(15)6-8-4-5-8/h1-3,7-8,11,15H,4-6H2
InChIKeyIPRHCARDRBXHQA-UHFFFAOYSA-N
MW220.24 g/mol
LogP3.41
Rot. Bonds3

About 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol

2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol (PubChem CID 114727065) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
PubChem CID114727065
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
SMILESOC(CC1CC1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H13FO2/c14-10-3-1-2-9-7-12(16-13(9)10)11(15)6-8-4-5-8/h1-3,7-8,11,15H,4-6H2
InChIKeyIPRHCARDRBXHQA-UHFFFAOYSA-N
XLogP3.41
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 105130101
1-(7-fluoro-1-benzofuran-2-yl)pentan-1-ol
CID 114723732
1-(7-fluoro-1-benzofuran-2-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836935
1-(7-fluoro-1-benzofuran-2-yl)-3-methylpentan-1-ol
CID 115836909
2-(1,3-dioxolan-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 103544181
2-ethylsulfanyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol
CID 114726596
[2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)propyl]hydrazine
CID 105339223
2-cyclopentyl-N-ethyl-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 105047443
1-(7-fluoro-1-benzofuran-2-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105130050
(7-fluoro-1-benzofuran-2-yl)-(3-methylcyclohexyl)methanol
CID 114724076
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
[cyclopentyl-(7-fluoro-1-benzofuran-2-yl)methyl]hydrazine
CID 105204500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The IUPAC name of 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol (CID 114727065) is 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol.
What is the SMILES notation for 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The canonical SMILES for 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol is OC(CC1CC1)c1cc2cccc(F)c2o1.
What is the InChIKey of 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
The InChIKey is IPRHCARDRBXHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c14-10-3-1-2-9-7-12(16-13(9)10)11(15)6-8-4-5-8/h1-3,7-8,11,15H,4-6H2.
What are the key properties of 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol?
2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol has a molecular weight of 220.24 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(7-fluoro-1-benzofuran-2-yl)ethanol is sourced from PubChem (CID 114727065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).