1,3,3-trifluoropyrrolidine

C4H6F3N — CID 143731623

IUPAC1,3,3-trifluoropyrrolidine
SMILESFN1CCC(F)(F)C1
InChIInChI=1S/C4H6F3N/c5-4(6)1-2-8(7)3-4/h1-3H2
InChIKeyNRDIIYCTRMOSGQ-UHFFFAOYSA-N
MW125.09 g/mol
LogP1.21
Rot. Bonds

About 1,3,3-trifluoropyrrolidine

1,3,3-trifluoropyrrolidine (PubChem CID 143731623) has the molecular formula C4H6F3N and a molecular weight of 125.09 g/mol. Its IUPAC name is 1,3,3-trifluoropyrrolidine.

Molecular Properties

Compound Name1,3,3-trifluoropyrrolidine
PubChem CID143731623
Molecular FormulaC4H6F3N
Molecular Weight125.09 g/mol
Exact Mass125.05
IUPAC Name1,3,3-trifluoropyrrolidine
SMILESFN1CCC(F)(F)C1
InChIInChI=1S/C4H6F3N/c5-4(6)1-2-8(7)3-4/h1-3H2
InChIKeyNRDIIYCTRMOSGQ-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.09
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,4-difluoro-1-methylpiperidine;ethane;ethanol
CID 166533902
3,3-difluoro-1-methylsulfanylpyrrolidine
CID 123776215
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
3,3-difluoro-1-(4-fluorophenyl)pyrrolidine
CID 117007610
3,3-difluoro-1-iodopiperidine
CID 121306760
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
1-(2-chloroethyl)-3,3-difluoropyrrolidine;hydrochloride
CID 67197404
2-(3,3-difluoropyrrolidin-1-yl)ethanamine;hydrochloride
CID 105442389
4,4-difluoro-1-methanidylpiperidine;scandium
CID 147271375
(2S)-1-(3,3-difluoropyrrolidin-1-yl)propan-2-amine
CID 131212587
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
CID 134128350

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trifluoropyrrolidine?
The IUPAC name of 1,3,3-trifluoropyrrolidine (CID 143731623) is 1,3,3-trifluoropyrrolidine.
What is the SMILES notation for 1,3,3-trifluoropyrrolidine?
The canonical SMILES for 1,3,3-trifluoropyrrolidine is FN1CCC(F)(F)C1.
What is the InChIKey of 1,3,3-trifluoropyrrolidine?
The InChIKey is NRDIIYCTRMOSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N/c5-4(6)1-2-8(7)3-4/h1-3H2.
What are the key properties of 1,3,3-trifluoropyrrolidine?
1,3,3-trifluoropyrrolidine has a molecular weight of 125.09 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoropyrrolidine is sourced from PubChem (CID 143731623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).