1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine

C8H17FN2 — CID 130204302

IUPAC1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(C)CC1F
InChIInChI=1S/C8H17FN2/c1-10(2)4-7-5-11(3)6-8(7)9/h7-8H,4-6H2,1-3H3
InChIKeyAOIVYOQVEUQBGU-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.45
Rot. Bonds2

About 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine

1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine (PubChem CID 130204302) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
PubChem CID130204302
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1CN(C)CC1F
InChIInChI=1S/C8H17FN2/c1-10(2)4-7-5-11(3)6-8(7)9/h7-8H,4-6H2,1-3H3
InChIKeyAOIVYOQVEUQBGU-UHFFFAOYSA-N
XLogP0.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine (CID 130204302) is 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine is CN(C)CC1CN(C)CC1F.
What is the InChIKey of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
The InChIKey is AOIVYOQVEUQBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-10(2)4-7-5-11(3)6-8(7)9/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine?
1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine has a molecular weight of 160.24 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylpyrrolidin-3-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 130204302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).