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

C12H11F2NO — CID 117319206

IUPAC2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine
SMILESFc1cc(F)c2ccoc2c1C1CCCN1
InChIInChI=1S/C12H11F2NO/c13-8-6-9(14)11(10-2-1-4-15-10)12-7(8)3-5-16-12/h3,5-6,10,15H,1-2,4H2
InChIKeyBKSHGZJIKLESMC-UHFFFAOYSA-N
MW223.22 g/mol
LogP3.14
Rot. Bonds1

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

2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine (PubChem CID 117319206) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine.

Molecular Properties

Compound Name2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine
PubChem CID117319206
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine
SMILESFc1cc(F)c2ccoc2c1C1CCCN1
InChIInChI=1S/C12H11F2NO/c13-8-6-9(14)11(10-2-1-4-15-10)12-7(8)3-5-16-12/h3,5-6,10,15H,1-2,4H2
InChIKeyBKSHGZJIKLESMC-UHFFFAOYSA-N
XLogP3.14
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495706
4-(4,6-difluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine;hydrochloride
CID 22495691
3,5-difluoro-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66518605
3,5-difluoro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518606
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine
CID 117380799
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
CID 171196031
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2-(1-benzofuran-6-yl)pyrrolidine
CID 82602445
(2R)-2-(3-methylfuran-2-yl)pyrrolidine
CID 96733783
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine?
The IUPAC name of 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine (CID 117319206) is 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine.
What is the SMILES notation for 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine?
The canonical SMILES for 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine is Fc1cc(F)c2ccoc2c1C1CCCN1.
What is the InChIKey of 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine?
The InChIKey is BKSHGZJIKLESMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-8-6-9(14)11(10-2-1-4-15-10)12-7(8)3-5-16-12/h3,5-6,10,15H,1-2,4H2.
What are the key properties of 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine?
2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine has a molecular weight of 223.22 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine is sourced from PubChem (CID 117319206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).