1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine

C6H11F3N2O — CID 147371119

IUPAC1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESCN1CC(N)C(OC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O/c1-11-2-4(10)5(3-11)12-6(7,8)9/h4-5H,2-3,10H2,1H3
InChIKeyDJCPMPWCKJWDLP-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.16
Rot. Bonds1

About 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine

1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine (PubChem CID 147371119) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine
PubChem CID147371119
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine
SMILESCN1CC(N)C(OC(F)(F)F)C1
InChIInChI=1S/C6H11F3N2O/c1-11-2-4(10)5(3-11)12-6(7,8)9/h4-5H,2-3,10H2,1H3
InChIKeyDJCPMPWCKJWDLP-UHFFFAOYSA-N
XLogP0.16
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine?
The IUPAC name of 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine (CID 147371119) is 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine.
What is the SMILES notation for 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine?
The canonical SMILES for 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine is CN1CC(N)C(OC(F)(F)F)C1.
What is the InChIKey of 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine?
The InChIKey is DJCPMPWCKJWDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-11-2-4(10)5(3-11)12-6(7,8)9/h4-5H,2-3,10H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine?
1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine has a molecular weight of 184.16 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethoxy)pyrrolidin-3-amine is sourced from PubChem (CID 147371119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).