2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine

C8H16FN3 — CID 91128665

IUPAC2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine
SMILESFCC1CCCN1C1NCCN1
InChIInChI=1S/C8H16FN3/c9-6-7-2-1-5-12(7)8-10-3-4-11-8/h7-8,10-11H,1-6H2
InChIKeyJRSDBEXTCNQYLX-UHFFFAOYSA-N
MW173.23 g/mol
LogP-0.10
Rot. Bonds2

About 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine

2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine (PubChem CID 91128665) has the molecular formula C8H16FN3 and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine
PubChem CID91128665
Molecular FormulaC8H16FN3
Molecular Weight173.23 g/mol
Exact Mass173.13
IUPAC Name2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine
SMILESFCC1CCCN1C1NCCN1
InChIInChI=1S/C8H16FN3/c9-6-7-2-1-5-12(7)8-10-3-4-11-8/h7-8,10-11H,1-6H2
InChIKeyJRSDBEXTCNQYLX-UHFFFAOYSA-N
XLogP-0.10
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine?
The IUPAC name of 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine (CID 91128665) is 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine.
What is the SMILES notation for 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine?
The canonical SMILES for 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine is FCC1CCCN1C1NCCN1.
What is the InChIKey of 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine?
The InChIKey is JRSDBEXTCNQYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN3/c9-6-7-2-1-5-12(7)8-10-3-4-11-8/h7-8,10-11H,1-6H2.
What are the key properties of 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine?
2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine has a molecular weight of 173.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)pyrrolidin-1-yl]imidazolidine is sourced from PubChem (CID 91128665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).