1-(trifluoromethyl)pyrrolidine

C5H8F3N — CID 22011299

IUPAC1-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)N1CCCC1
InChIInChI=1S/C5H8F3N/c6-5(7,8)9-3-1-2-4-9/h1-4H2
InChIKeyRAFDNPHQXMFQAS-UHFFFAOYSA-N
MW139.12 g/mol
LogP1.60
Rot. Bonds

About 1-(trifluoromethyl)pyrrolidine

1-(trifluoromethyl)pyrrolidine (PubChem CID 22011299) has the molecular formula C5H8F3N and a molecular weight of 139.12 g/mol. Its IUPAC name is 1-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(trifluoromethyl)pyrrolidine
PubChem CID22011299
Molecular FormulaC5H8F3N
Molecular Weight139.12 g/mol
Exact Mass139.06
IUPAC Name1-(trifluoromethyl)pyrrolidine
SMILESFC(F)(F)N1CCCC1
InChIInChI=1S/C5H8F3N/c6-5(7,8)9-3-1-2-4-9/h1-4H2
InChIKeyRAFDNPHQXMFQAS-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.12
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-Trifluoroethyl)pyrrolidine
CID 21810045
Difluoropyrrolidine
CID 17885416
1-(Fluoromethyl)pyrrolidine
CID 18762940
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
3,3-Difluoro-1-methylpyrrolidine
CID 20775182

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-(trifluoromethyl)pyrrolidine (CID 22011299) is 1-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-(trifluoromethyl)pyrrolidine is FC(F)(F)N1CCCC1.
What is the InChIKey of 1-(trifluoromethyl)pyrrolidine?
The InChIKey is RAFDNPHQXMFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N/c6-5(7,8)9-3-1-2-4-9/h1-4H2.
What are the key properties of 1-(trifluoromethyl)pyrrolidine?
1-(trifluoromethyl)pyrrolidine has a molecular weight of 139.12 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 22011299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).