1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine

C9H16F3N — CID 58945115

IUPAC1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
SMILESCC(CC(F)(F)F)C1CCN(C)C1
InChIInChI=1S/C9H16F3N/c1-7(5-9(10,11)12)8-3-4-13(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyMZRZUCWRSLDPBD-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.53
Rot. Bonds2

About 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine

1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine (PubChem CID 58945115) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
PubChem CID58945115
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine
SMILESCC(CC(F)(F)F)C1CCN(C)C1
InChIInChI=1S/C9H16F3N/c1-7(5-9(10,11)12)8-3-4-13(2)6-8/h7-8H,3-6H2,1-2H3
InChIKeyMZRZUCWRSLDPBD-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine?
The IUPAC name of 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine (CID 58945115) is 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine.
What is the SMILES notation for 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine?
The canonical SMILES for 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine is CC(CC(F)(F)F)C1CCN(C)C1.
What is the InChIKey of 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine?
The InChIKey is MZRZUCWRSLDPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(5-9(10,11)12)8-3-4-13(2)6-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine?
1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine has a molecular weight of 195.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4,4,4-trifluorobutan-2-yl)pyrrolidine is sourced from PubChem (CID 58945115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).