1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine

C9H16F3N — CID 126986369

IUPAC1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine
SMILESCCCC1(C(F)(F)F)CCCN1C
InChIInChI=1S/C9H16F3N/c1-3-5-8(9(10,11)12)6-4-7-13(8)2/h3-7H2,1-2H3
InChIKeyLOXCNLGXEFBYCX-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.81
Rot. Bonds2

About 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine

1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine (PubChem CID 126986369) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine
PubChem CID126986369
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine
SMILESCCCC1(C(F)(F)F)CCCN1C
InChIInChI=1S/C9H16F3N/c1-3-5-8(9(10,11)12)6-4-7-13(8)2/h3-7H2,1-2H3
InChIKeyLOXCNLGXEFBYCX-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2-propyl-2-(trifluoromethyl)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-2-propyl-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine (CID 126986369) is 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine is CCCC1(C(F)(F)F)CCCN1C.
What is the InChIKey of 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine?
The InChIKey is LOXCNLGXEFBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-3-5-8(9(10,11)12)6-4-7-13(8)2/h3-7H2,1-2H3.
What are the key properties of 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine?
1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine has a molecular weight of 195.23 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyl-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 126986369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).