(3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine

C9H17F2N — CID 166827774

IUPAC(3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](CC(F)F)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-4-3-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyZYTLZGMNIRLJMS-MRVPVSSYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds3

About (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine

(3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine (PubChem CID 166827774) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
PubChem CID166827774
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC[C@H](CC(F)F)C1
InChIInChI=1S/C9H17F2N/c1-7(2)12-4-3-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyZYTLZGMNIRLJMS-MRVPVSSYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine (CID 166827774) is (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine is CC(C)N1CC[C@H](CC(F)F)C1.
What is the InChIKey of (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is ZYTLZGMNIRLJMS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)12-4-3-8(6-12)5-9(10)11/h7-9H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine?
(3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,2-difluoroethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 166827774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).