2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole

C9H13F2N3 — CID 130706011

IUPAC2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole
SMILESCCc1cnc(N2CCC(F)(F)C2)[nH]1
InChIInChI=1S/C9H13F2N3/c1-2-7-5-12-8(13-7)14-4-3-9(10,11)6-14/h5H,2-4,6H2,1H3,(H,12,13)
InChIKeyCVNIYWYSNFLVKV-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.82
Rot. Bonds2

About 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole

2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole (PubChem CID 130706011) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole.

Molecular Properties

Compound Name2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole
PubChem CID130706011
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole
SMILESCCc1cnc(N2CCC(F)(F)C2)[nH]1
InChIInChI=1S/C9H13F2N3/c1-2-7-5-12-8(13-7)14-4-3-9(10,11)6-14/h5H,2-4,6H2,1H3,(H,12,13)
InChIKeyCVNIYWYSNFLVKV-UHFFFAOYSA-N
XLogP1.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole?
The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole (CID 130706011) is 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole.
What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole?
The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole is CCc1cnc(N2CCC(F)(F)C2)[nH]1.
What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole?
The InChIKey is CVNIYWYSNFLVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-2-7-5-12-8(13-7)14-4-3-9(10,11)6-14/h5H,2-4,6H2,1H3,(H,12,13).
What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole?
2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole has a molecular weight of 201.22 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropyrrolidin-1-yl)-5-ethyl-1H-imidazole is sourced from PubChem (CID 130706011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).