N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine

C11H23FN2 — CID 59289554

IUPACN-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C(C)C)C1CC(CF)N(C)C1
InChIInChI=1S/C11H23FN2/c1-5-14(9(2)3)11-6-10(7-12)13(4)8-11/h9-11H,5-8H2,1-4H3
InChIKeyGHXZRWLKGXXSSL-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.76
Rot. Bonds4

About N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine

N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 59289554) has the molecular formula C11H23FN2 and a molecular weight of 202.32 g/mol. Its IUPAC name is N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID59289554
Molecular FormulaC11H23FN2
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC NameN-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCCN(C(C)C)C1CC(CF)N(C)C1
InChIInChI=1S/C11H23FN2/c1-5-14(9(2)3)11-6-10(7-12)13(4)8-11/h9-11H,5-8H2,1-4H3
InChIKeyGHXZRWLKGXXSSL-UHFFFAOYSA-N
XLogP1.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 59289554) is N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine is CCN(C(C)C)C1CC(CF)N(C)C1.
What is the InChIKey of N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is GHXZRWLKGXXSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN2/c1-5-14(9(2)3)11-6-10(7-12)13(4)8-11/h9-11H,5-8H2,1-4H3.
What are the key properties of N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 202.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(fluoromethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 59289554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).