1-(1,2,2-trifluoroethyl)pyrrolidine

C6H10F3N — CID 69400979

IUPAC1-(1,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)C(F)N1CCCC1
InChIInChI=1S/C6H10F3N/c7-5(8)6(9)10-3-1-2-4-10/h5-6H,1-4H2
InChIKeyLDQULUMTHMKKTP-UHFFFAOYSA-N
MW153.15 g/mol
LogP1.64
Rot. Bonds2

About 1-(1,2,2-trifluoroethyl)pyrrolidine

1-(1,2,2-trifluoroethyl)pyrrolidine (PubChem CID 69400979) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 1-(1,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,2,2-trifluoroethyl)pyrrolidine
PubChem CID69400979
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name1-(1,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)C(F)N1CCCC1
InChIInChI=1S/C6H10F3N/c7-5(8)6(9)10-3-1-2-4-10/h5-6H,1-4H2
InChIKeyLDQULUMTHMKKTP-UHFFFAOYSA-N
XLogP1.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.64
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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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 1-(1,2,2-trifluoroethyl)pyrrolidine (CID 69400979) is 1-(1,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 1-(1,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 1-(1,2,2-trifluoroethyl)pyrrolidine is FC(F)C(F)N1CCCC1.
What is the InChIKey of 1-(1,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is LDQULUMTHMKKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c7-5(8)6(9)10-3-1-2-4-10/h5-6H,1-4H2.
What are the key properties of 1-(1,2,2-trifluoroethyl)pyrrolidine?
1-(1,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 153.15 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 69400979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).