(4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine

C11H20F2N2 — CID 166869688

IUPAC(4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine
SMILESCN1C[C@@H](N2CCC(F)(F)C2)CC1(C)C
InChIInChI=1S/C11H20F2N2/c1-10(2)6-9(7-14(10)3)15-5-4-11(12,13)8-15/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyPTGKIHONCISQRZ-VIFPVBQESA-N
MW218.29 g/mol
LogP1.81
Rot. Bonds1

About (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine

(4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine (PubChem CID 166869688) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine.

Molecular Properties

Compound Name(4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine
PubChem CID166869688
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name(4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine
SMILESCN1C[C@@H](N2CCC(F)(F)C2)CC1(C)C
InChIInChI=1S/C11H20F2N2/c1-10(2)6-9(7-14(10)3)15-5-4-11(12,13)8-15/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyPTGKIHONCISQRZ-VIFPVBQESA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine?
The IUPAC name of (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine (CID 166869688) is (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine.
What is the SMILES notation for (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine?
The canonical SMILES for (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine is CN1C[C@@H](N2CCC(F)(F)C2)CC1(C)C.
What is the InChIKey of (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine?
The InChIKey is PTGKIHONCISQRZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20F2N2/c1-10(2)6-9(7-14(10)3)15-5-4-11(12,13)8-15/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine?
(4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine has a molecular weight of 218.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,3-difluoropyrrolidin-1-yl)-1,2,2-trimethylpyrrolidine is sourced from PubChem (CID 166869688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).