5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole

C10H13F4N3 — CID 106291736

IUPAC5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole
SMILESFC(F)C(F)(F)Cn1cncc1C1CCCN1
InChIInChI=1S/C10H13F4N3/c11-9(12)10(13,14)5-17-6-15-4-8(17)7-2-1-3-16-7/h4,6-7,9,16H,1-3,5H2
InChIKeyGQRZJTCHPVTRSV-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.21
Rot. Bonds4

About 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole

5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole (PubChem CID 106291736) has the molecular formula C10H13F4N3 and a molecular weight of 251.23 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole
PubChem CID106291736
Molecular FormulaC10H13F4N3
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole
SMILESFC(F)C(F)(F)Cn1cncc1C1CCCN1
InChIInChI=1S/C10H13F4N3/c11-9(12)10(13,14)5-17-6-15-4-8(17)7-2-1-3-16-7/h4,6-7,9,16H,1-3,5H2
InChIKeyGQRZJTCHPVTRSV-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
2-[3-(4,4,4-trifluorobutyl)imidazol-4-yl]piperidine
CID 114707003
1-(2-ethyl-2-methylsulfanylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 114117598
N,N,2,2-tetramethyl-3-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propan-1-amine
CID 104941646
1-(4-methylpentyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943065
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
2-[3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazol-4-yl]piperidine
CID 114706178
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-(2-ethoxyethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941455
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole?
The IUPAC name of 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole (CID 106291736) is 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole?
The canonical SMILES for 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole is FC(F)C(F)(F)Cn1cncc1C1CCCN1.
What is the InChIKey of 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole?
The InChIKey is GQRZJTCHPVTRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3/c11-9(12)10(13,14)5-17-6-15-4-8(17)7-2-1-3-16-7/h4,6-7,9,16H,1-3,5H2.
What are the key properties of 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole?
5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole has a molecular weight of 251.23 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-1-(2,2,3,3-tetrafluoropropyl)imidazole is sourced from PubChem (CID 106291736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).