4-fluoro-N,N,1-trimethylpyrrolidin-3-amine

C7H15FN2 — CID 130204199

IUPAC4-fluoro-N,N,1-trimethylpyrrolidin-3-amine
SMILESCN1CC(F)C(N(C)C)C1
InChIInChI=1S/C7H15FN2/c1-9(2)7-5-10(3)4-6(7)8/h6-7H,4-5H2,1-3H3
InChIKeyCIQYKDUFFQVDSF-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.20
Rot. Bonds1

About 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine

4-fluoro-N,N,1-trimethylpyrrolidin-3-amine (PubChem CID 130204199) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-fluoro-N,N,1-trimethylpyrrolidin-3-amine
PubChem CID130204199
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name4-fluoro-N,N,1-trimethylpyrrolidin-3-amine
SMILESCN1CC(F)C(N(C)C)C1
InChIInChI=1S/C7H15FN2/c1-9(2)7-5-10(3)4-6(7)8/h6-7H,4-5H2,1-3H3
InChIKeyCIQYKDUFFQVDSF-UHFFFAOYSA-N
XLogP0.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine?
The IUPAC name of 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine (CID 130204199) is 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine?
The canonical SMILES for 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine is CN1CC(F)C(N(C)C)C1.
What is the InChIKey of 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine?
The InChIKey is CIQYKDUFFQVDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-9(2)7-5-10(3)4-6(7)8/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine?
4-fluoro-N,N,1-trimethylpyrrolidin-3-amine has a molecular weight of 146.21 g/mol, XLogP of 0.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N,1-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 130204199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).