N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine

C10H21FN2 — CID 123240180

IUPACN,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine
SMILESCCN(CC)CCN1CCC(F)C1
InChIInChI=1S/C10H21FN2/c1-3-12(4-2)7-8-13-6-5-10(11)9-13/h10H,3-9H2,1-2H3
InChIKeyTZTBHOGEWRKEJC-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.37
Rot. Bonds5

About N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine

N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine (PubChem CID 123240180) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine
PubChem CID123240180
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC NameN,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine
SMILESCCN(CC)CCN1CCC(F)C1
InChIInChI=1S/C10H21FN2/c1-3-12(4-2)7-8-13-6-5-10(11)9-13/h10H,3-9H2,1-2H3
InChIKeyTZTBHOGEWRKEJC-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine (CID 123240180) is N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine is CCN(CC)CCN1CCC(F)C1.
What is the InChIKey of N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine?
The InChIKey is TZTBHOGEWRKEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-3-12(4-2)7-8-13-6-5-10(11)9-13/h10H,3-9H2,1-2H3.
What are the key properties of N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine?
N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine has a molecular weight of 188.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(3-fluoropyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 123240180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).