1-(3,3,3-trifluoropropyl)pyrrolidine

C7H12F3N — CID 69399429

IUPAC1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCCC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)3-6-11-4-1-2-5-11/h1-6H2
InChIKeyYHAABNGBLKTBBJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.03
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyrrolidine

1-(3,3,3-trifluoropropyl)pyrrolidine (PubChem CID 69399429) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrolidine
PubChem CID69399429
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrolidine
SMILESFC(F)(F)CCN1CCCC1
InChIInChI=1S/C7H12F3N/c8-7(9,10)3-6-11-4-1-2-5-11/h1-6H2
InChIKeyYHAABNGBLKTBBJ-UHFFFAOYSA-N
XLogP2.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,3,3-trifluoropropyl)pyrrolidine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
Difluoropyrrolidine
CID 17885416
1-(Fluoromethyl)pyrrolidine
CID 18762940
Trifluoromethylpyrrolidine
CID 22011299
Tetrafluoropyrrolidine
CID 22011300
1-(2-Fluoroethyl)pyrrolidine
CID 54216065
3-Fluoro-1-methylpyrrolidine
CID 57749492
fluoro-N-methylpyrrolidine
CID 89989596
Fluoropropyl-pyrrolidine
CID 130163099
2,2,3,4,5,5-Hexafluoro-1-methylpyrrolidine
CID 12847250
3,3,4,4-Tetrafluoro-1-methylpyrrolidine
CID 13028735
1-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]pyrrolidine
CID 13864934

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine (CID 69399429) is 1-(3,3,3-trifluoropropyl)pyrrolidine.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrolidine?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrolidine is FC(F)(F)CCN1CCCC1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrolidine?
The InChIKey is YHAABNGBLKTBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-7(9,10)3-6-11-4-1-2-5-11/h1-6H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrolidine?
1-(3,3,3-trifluoropropyl)pyrrolidine has a molecular weight of 167.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrolidine is sourced from PubChem (CID 69399429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).