(2R)-4,4-difluoro-2-methylpyrrolidin-1-amine

C5H10F2N2 — CID 89010724

IUPAC(2R)-4,4-difluoro-2-methylpyrrolidin-1-amine
SMILESC[C@@H]1CC(F)(F)CN1N
InChIInChI=1S/C5H10F2N2/c1-4-2-5(6,7)3-9(4)8/h4H,2-3,8H2,1H3/t4-/m1/s1
InChIKeyIVKPJWHPSFRGKD-SCSAIBSYSA-N
MW136.15 g/mol
LogP0.59
Rot. Bonds

About (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine

(2R)-4,4-difluoro-2-methylpyrrolidin-1-amine (PubChem CID 89010724) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine.

Molecular Properties

Compound Name(2R)-4,4-difluoro-2-methylpyrrolidin-1-amine
PubChem CID89010724
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name(2R)-4,4-difluoro-2-methylpyrrolidin-1-amine
SMILESC[C@@H]1CC(F)(F)CN1N
InChIInChI=1S/C5H10F2N2/c1-4-2-5(6,7)3-9(4)8/h4H,2-3,8H2,1H3/t4-/m1/s1
InChIKeyIVKPJWHPSFRGKD-SCSAIBSYSA-N
XLogP0.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine?
The IUPAC name of (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine (CID 89010724) is (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine.
What is the SMILES notation for (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine?
The canonical SMILES for (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine is C[C@@H]1CC(F)(F)CN1N.
What is the InChIKey of (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine?
The InChIKey is IVKPJWHPSFRGKD-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10F2N2/c1-4-2-5(6,7)3-9(4)8/h4H,2-3,8H2,1H3/t4-/m1/s1.
What are the key properties of (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine?
(2R)-4,4-difluoro-2-methylpyrrolidin-1-amine has a molecular weight of 136.15 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-difluoro-2-methylpyrrolidin-1-amine is sourced from PubChem (CID 89010724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).