2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol

C14H17FO2 — CID 66360881

IUPAC2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H17FO2/c15-11-4-5-14-10(6-11)8-12(17-14)7-9-2-1-3-13(9)16/h4-6,9,12-13,16H,1-3,7-8H2
InChIKeyLOWXQDZQTPCOEI-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.68
Rot. Bonds2

About 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol

2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol (PubChem CID 66360881) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
PubChem CID66360881
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H17FO2/c15-11-4-5-14-10(6-11)8-12(17-14)7-9-2-1-3-13(9)16/h4-6,9,12-13,16H,1-3,7-8H2
InChIKeyLOWXQDZQTPCOEI-UHFFFAOYSA-N
XLogP2.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclohexan-1-amine
CID 66364918
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66361100
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-[cyclobutyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]ethanol
CID 102870121
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(2-methylcyclohexyl)methanamine
CID 66363715
1-(2-chlorocyclohexyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]methanamine
CID 66360708
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cycloheptanamine
CID 66365463
3-[[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 66363729
2-[(2-chlorocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66360655
2-[(2-bromocyclopentyl)methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 66361620
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 66365126
3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl-methylamino]propanethioamide
CID 66364311

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol (CID 66360881) is 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol is OC1CCCC1CC1Cc2cc(F)ccc2O1.
What is the InChIKey of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol?
The InChIKey is LOWXQDZQTPCOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-11-4-5-14-10(6-11)8-12(17-14)7-9-2-1-3-13(9)16/h4-6,9,12-13,16H,1-3,7-8H2.
What are the key properties of 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol?
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol has a molecular weight of 236.29 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 66360881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).