(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine

C6H10F3N — CID 52810935

IUPAC(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)(F)C[C@@H]1CCNC1
InChIInChI=1S/C6H10F3N/c7-6(8,9)3-5-1-2-10-4-5/h5,10H,1-4H2/t5-/m0/s1
InChIKeyPTXOIRIEXVHPML-YFKPBYRVSA-N
MW153.15 g/mol
LogP1.55
Rot. Bonds1

About (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine

(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 52810935) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID52810935
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESFC(F)(F)C[C@@H]1CCNC1
InChIInChI=1S/C6H10F3N/c7-6(8,9)3-5-1-2-10-4-5/h5,10H,1-4H2/t5-/m0/s1
InChIKeyPTXOIRIEXVHPML-YFKPBYRVSA-N
XLogP1.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine (CID 52810935) is (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine is FC(F)(F)C[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is PTXOIRIEXVHPML-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3N/c7-6(8,9)3-5-1-2-10-4-5/h5,10H,1-4H2/t5-/m0/s1.
What are the key properties of (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine?
(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 153.15 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 52810935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).