4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine

C8H17FN2 — CID 67974946

IUPAC4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine
SMILESCNC1(C)CN(C)CC1CF
InChIInChI=1S/C8H17FN2/c1-8(10-2)6-11(3)5-7(8)4-9/h7,10H,4-6H2,1-3H3
InChIKeyXPAQRYAGKMJEON-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.50
Rot. Bonds2

About 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine

4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine (PubChem CID 67974946) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine
PubChem CID67974946
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine
SMILESCNC1(C)CN(C)CC1CF
InChIInChI=1S/C8H17FN2/c1-8(10-2)6-11(3)5-7(8)4-9/h7,10H,4-6H2,1-3H3
InChIKeyXPAQRYAGKMJEON-UHFFFAOYSA-N
XLogP0.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine?
The IUPAC name of 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine (CID 67974946) is 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine.
What is the SMILES notation for 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine?
The canonical SMILES for 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine is CNC1(C)CN(C)CC1CF.
What is the InChIKey of 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine?
The InChIKey is XPAQRYAGKMJEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8(10-2)6-11(3)5-7(8)4-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine?
4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine has a molecular weight of 160.24 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-N,1,3-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 67974946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).