5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole

C8H12FN3 — CID 84765600

IUPAC5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole
SMILESFCc1cnc(C2CCNC2)[nH]1
InChIInChI=1S/C8H12FN3/c9-3-7-5-11-8(12-7)6-1-2-10-4-6/h5-6,10H,1-4H2,(H,11,12)
InChIKeyWBXYSQRQWIWKKN-UHFFFAOYSA-N
MW169.20 g/mol
LogP0.96
Rot. Bonds2

About 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole

5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole (PubChem CID 84765600) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole
PubChem CID84765600
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole
SMILESFCc1cnc(C2CCNC2)[nH]1
InChIInChI=1S/C8H12FN3/c9-3-7-5-11-8(12-7)6-1-2-10-4-6/h5-6,10H,1-4H2,(H,11,12)
InChIKeyWBXYSQRQWIWKKN-UHFFFAOYSA-N
XLogP0.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
The IUPAC name of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole (CID 84765600) is 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole.
What is the SMILES notation for 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
The canonical SMILES for 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole is FCc1cnc(C2CCNC2)[nH]1.
What is the InChIKey of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
The InChIKey is WBXYSQRQWIWKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c9-3-7-5-11-8(12-7)6-1-2-10-4-6/h5-6,10H,1-4H2,(H,11,12).
What are the key properties of 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole?
5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole has a molecular weight of 169.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-pyrrolidin-3-yl-1H-imidazole is sourced from PubChem (CID 84765600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).