2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine

C11H15F2NO — CID 116840169

IUPAC2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine
SMILESCc1ccc(C(F)(F)CC2CCCN2)o1
InChIInChI=1S/C11H15F2NO/c1-8-4-5-10(15-8)11(12,13)7-9-3-2-6-14-9/h4-5,9,14H,2-3,6-7H2,1H3
InChIKeyXIFSBTVHUOSJDE-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.82
Rot. Bonds3

About 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine

2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine (PubChem CID 116840169) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine
PubChem CID116840169
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine
SMILESCc1ccc(C(F)(F)CC2CCCN2)o1
InChIInChI=1S/C11H15F2NO/c1-8-4-5-10(15-8)11(12,13)7-9-3-2-6-14-9/h4-5,9,14H,2-3,6-7H2,1H3
InChIKeyXIFSBTVHUOSJDE-UHFFFAOYSA-N
XLogP2.82
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,5-dimethylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840108
2-[2-(5-bromo-2-methylphenyl)-2,2-difluoroethyl]pyrrolidine
CID 116840165
2-[2-(5-methylfuran-2-yl)propyl]pyrrolidine
CID 83907601
2-[2,2-difluoro-2-(2-methyl-5-propan-2-ylphenyl)ethyl]pyrrolidine
CID 116840148
2-(1,1-difluoropropyl)-5-methylfuran
CID 116841333
2-[2,2-difluoro-2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidine
CID 116840127
2-(2-fluoro-1-pyrrolidin-2-ylpropan-2-yl)-1H-pyrrole
CID 130992693
2-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431305
1-(azepan-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 64570983
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 106608715
2-[2-(2,4-difluorophenyl)-2,2-difluoroethyl]piperidine
CID 116840282
5-(1,1-difluoroethyl)-2-(pyrrolidin-2-ylmethyl)-1,3-oxazole
CID 84784625

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine?
The IUPAC name of 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine (CID 116840169) is 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine is Cc1ccc(C(F)(F)CC2CCCN2)o1.
What is the InChIKey of 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine?
The InChIKey is XIFSBTVHUOSJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-8-4-5-10(15-8)11(12,13)7-9-3-2-6-14-9/h4-5,9,14H,2-3,6-7H2,1H3.
What are the key properties of 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine?
2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine has a molecular weight of 215.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-(5-methylfuran-2-yl)ethyl]pyrrolidine is sourced from PubChem (CID 116840169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).