3-propyl-3-(trifluoromethyl)pyrrolidine

C8H14F3N — CID 83683761

IUPAC3-propyl-3-(trifluoromethyl)pyrrolidine
SMILESCCCC1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3N/c1-2-3-7(8(9,10)11)4-5-12-6-7/h12H,2-6H2,1H3
InChIKeyYGDMCCRSRBIVSE-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.33
Rot. Bonds2

About 3-propyl-3-(trifluoromethyl)pyrrolidine

3-propyl-3-(trifluoromethyl)pyrrolidine (PubChem CID 83683761) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 3-propyl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-propyl-3-(trifluoromethyl)pyrrolidine
PubChem CID83683761
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name3-propyl-3-(trifluoromethyl)pyrrolidine
SMILESCCCC1(C(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3N/c1-2-3-7(8(9,10)11)4-5-12-6-7/h12H,2-6H2,1H3
InChIKeyYGDMCCRSRBIVSE-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-propyl-3-(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 3-propyl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-propyl-3-(trifluoromethyl)pyrrolidine (CID 83683761) is 3-propyl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-propyl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-propyl-3-(trifluoromethyl)pyrrolidine is CCCC1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-propyl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is YGDMCCRSRBIVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-2-3-7(8(9,10)11)4-5-12-6-7/h12H,2-6H2,1H3.
What are the key properties of 3-propyl-3-(trifluoromethyl)pyrrolidine?
3-propyl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 181.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 83683761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).