3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine

C14H18FNO — CID 112564401

IUPAC3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
SMILESFC1(CCc2ccc3c(c2)CCO3)CCNC1
InChIInChI=1S/C14H18FNO/c15-14(6-7-16-10-14)5-3-11-1-2-13-12(9-11)4-8-17-13/h1-2,9,16H,3-8,10H2
InChIKeyCKULBWDPSFEFPB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.26
Rot. Bonds3

About 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine (PubChem CID 112564401) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
PubChem CID112564401
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
SMILESFC1(CCc2ccc3c(c2)CCO3)CCNC1
InChIInChI=1S/C14H18FNO/c15-14(6-7-16-10-14)5-3-11-1-2-13-12(9-11)4-8-17-13/h1-2,9,16H,3-8,10H2
InChIKeyCKULBWDPSFEFPB-UHFFFAOYSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
CID 112563003
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclopentan-1-ol
CID 80698664
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836809
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one
CID 116569479
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 65446994
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-methylcyclohexan-1-amine
CID 65445021
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120887242
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine (CID 112564401) is 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine is FC1(CCc2ccc3c(c2)CCO3)CCNC1.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine?
The InChIKey is CKULBWDPSFEFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c15-14(6-7-16-10-14)5-3-11-1-2-13-12(9-11)4-8-17-13/h1-2,9,16H,3-8,10H2.
What are the key properties of 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine?
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine has a molecular weight of 235.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine is sourced from PubChem (CID 112564401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).