(2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine

C11H21F2N — CID 88943348

IUPAC(2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine
SMILESCCC(C)C[C@H]1CCCN1CC(F)F
InChIInChI=1S/C11H21F2N/c1-3-9(2)7-10-5-4-6-14(10)8-11(12)13/h9-11H,3-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyAROPWIGODWLVKC-QVDQXJPCSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds5

About (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine

(2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine (PubChem CID 88943348) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine
PubChem CID88943348
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name(2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine
SMILESCCC(C)C[C@H]1CCCN1CC(F)F
InChIInChI=1S/C11H21F2N/c1-3-9(2)7-10-5-4-6-14(10)8-11(12)13/h9-11H,3-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyAROPWIGODWLVKC-QVDQXJPCSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine?
The IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine (CID 88943348) is (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine?
The canonical SMILES for (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine is CCC(C)C[C@H]1CCCN1CC(F)F.
What is the InChIKey of (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine?
The InChIKey is AROPWIGODWLVKC-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H21F2N/c1-3-9(2)7-10-5-4-6-14(10)8-11(12)13/h9-11H,3-8H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine?
(2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-difluoroethyl)-2-(2-methylbutyl)pyrrolidine is sourced from PubChem (CID 88943348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).