(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine

C9H17F2N — CID 163939113

IUPAC(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CC(F)(F)C[C@H]1C
InChIInChI=1S/C9H17F2N/c1-7(2)5-12-6-9(10,11)4-8(12)3/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyRPKVCXLSVVWNKF-MRVPVSSYSA-N
MW177.24 g/mol
LogP2.37
Rot. Bonds2

About (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine

(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine (PubChem CID 163939113) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine
PubChem CID163939113
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine
SMILESCC(C)CN1CC(F)(F)C[C@H]1C
InChIInChI=1S/C9H17F2N/c1-7(2)5-12-6-9(10,11)4-8(12)3/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyRPKVCXLSVVWNKF-MRVPVSSYSA-N
XLogP2.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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 (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine (CID 163939113) is (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine is CC(C)CN1CC(F)(F)C[C@H]1C.
What is the InChIKey of (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine?
The InChIKey is RPKVCXLSVVWNKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)5-12-6-9(10,11)4-8(12)3/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine?
(2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-methyl-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 163939113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).