3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine

C12H13F2NO — CID 117322941

IUPAC3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
SMILESFc1cc(F)c(C2CCNC2)c2c1CCO2
InChIInChI=1S/C12H13F2NO/c13-9-5-10(14)11(7-1-3-15-6-7)12-8(9)2-4-16-12/h5,7,15H,1-4,6H2
InChIKeyLTXFDMHLFKSKNX-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.98
Rot. Bonds1

About 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine

3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine (PubChem CID 117322941) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine.

Molecular Properties

Compound Name3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
PubChem CID117322941
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
SMILESFc1cc(F)c(C2CCNC2)c2c1CCO2
InChIInChI=1S/C12H13F2NO/c13-9-5-10(14)11(7-1-3-15-6-7)12-8(9)2-4-16-12/h5,7,15H,1-4,6H2
InChIKeyLTXFDMHLFKSKNX-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5,7-difluoro-3,4-dihydro-2H-chromen-8-yl)piperidine
CID 117385756
2-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)morpholine
CID 117354578
3-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)pyrrolidine
CID 115010130
3-(10-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)pyrrolidine
CID 115010129
4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine
CID 117385750
3-(4-bromo-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)pyrrolidine
CID 117480079
3,5-difluoro-2-methoxy-6-pyrrolidin-3-ylphenol
CID 84692495
3-(2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 82602979
5-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-amine
CID 86718004
4-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117390767
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130639912
3-(4-fluoro-2,6-dimethoxyphenyl)pyrrolidine
CID 117323606

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The IUPAC name of 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine (CID 117322941) is 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine.
What is the SMILES notation for 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The canonical SMILES for 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine is Fc1cc(F)c(C2CCNC2)c2c1CCO2.
What is the InChIKey of 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
The InChIKey is LTXFDMHLFKSKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c13-9-5-10(14)11(7-1-3-15-6-7)12-8(9)2-4-16-12/h5,7,15H,1-4,6H2.
What are the key properties of 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine?
3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine has a molecular weight of 225.24 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine is sourced from PubChem (CID 117322941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).