3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane

C13H28F3N — CID 144979676

IUPAC3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
SMILESCC.CC.CC1(C)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N.2C2H6/c1-8(2)3-5-13(7-8)6-4-9(10,11)12;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyRRPMIHAPZSERTP-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.72
Rot. Bonds2

About 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane

3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane (PubChem CID 144979676) has the molecular formula C13H28F3N and a molecular weight of 255.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane.

Molecular Properties

Compound Name3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
PubChem CID144979676
Molecular FormulaC13H28F3N
Molecular Weight255.37 g/mol
Exact Mass255.22
IUPAC Name3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane
SMILESCC.CC.CC1(C)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C9H16F3N.2C2H6/c1-8(2)3-5-13(7-8)6-4-9(10,11)12;2*1-2/h3-7H2,1-2H3;2*1-2H3
InChIKeyRRPMIHAPZSERTP-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane 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 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane?
The IUPAC name of 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane (CID 144979676) is 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane.
What is the SMILES notation for 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane?
The canonical SMILES for 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane is CC.CC.CC1(C)CCN(CCC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane?
The InChIKey is RRPMIHAPZSERTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N.2C2H6/c1-8(2)3-5-13(7-8)6-4-9(10,11)12;2*1-2/h3-7H2,1-2H3;2*1-2H3.
What are the key properties of 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane?
3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane has a molecular weight of 255.37 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3,3,3-trifluoropropyl)pyrrolidine;ethane is sourced from PubChem (CID 144979676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).