(2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine

C10H19F2N — CID 89007348

IUPAC(2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine
SMILESCCN1CC(F)(F)C[C@H]1C(C)(C)C
InChIInChI=1S/C10H19F2N/c1-5-13-7-10(11,12)6-8(13)9(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyZLALGTWEUMMDMO-QMMMGPOBSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds1

About (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine

(2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine (PubChem CID 89007348) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name(2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine
PubChem CID89007348
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name(2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine
SMILESCCN1CC(F)(F)C[C@H]1C(C)(C)C
InChIInChI=1S/C10H19F2N/c1-5-13-7-10(11,12)6-8(13)9(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1
InChIKeyZLALGTWEUMMDMO-QMMMGPOBSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine?
The IUPAC name of (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine (CID 89007348) is (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine.
What is the SMILES notation for (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine?
The canonical SMILES for (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine is CCN1CC(F)(F)C[C@H]1C(C)(C)C.
What is the InChIKey of (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine?
The InChIKey is ZLALGTWEUMMDMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19F2N/c1-5-13-7-10(11,12)6-8(13)9(2,3)4/h8H,5-7H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine?
(2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-tert-butyl-1-ethyl-4,4-difluoropyrrolidine is sourced from PubChem (CID 89007348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).