1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine

C6H11F3N2 — CID 63898672

IUPAC1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESCN1CCC(N)(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c1-11-3-2-5(10,4-11)6(7,8)9/h2-4,10H2,1H3
InChIKeyYXNGKJWUKQEZIU-UHFFFAOYSA-N
MW168.16 g/mol
LogP0.58
Rot. Bonds

About 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine

1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 63898672) has the molecular formula C6H11F3N2 and a molecular weight of 168.16 g/mol. Its IUPAC name is 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID63898672
Molecular FormulaC6H11F3N2
Molecular Weight168.16 g/mol
Exact Mass168.09
IUPAC Name1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine
SMILESCN1CCC(N)(C(F)(F)F)C1
InChIInChI=1S/C6H11F3N2/c1-11-3-2-5(10,4-11)6(7,8)9/h2-4,10H2,1H3
InChIKeyYXNGKJWUKQEZIU-UHFFFAOYSA-N
XLogP0.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine (CID 63898672) is 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine is CN1CCC(N)(C(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is YXNGKJWUKQEZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2/c1-11-3-2-5(10,4-11)6(7,8)9/h2-4,10H2,1H3.
What are the key properties of 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine?
1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 168.16 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 63898672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).