(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine

C5H8F2N- — CID 123412540

IUPAC(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine
SMILES[CH2-]N1C[C@@H](F)[C@H](F)C1
InChIInChI=1S/C5H8F2N/c1-8-2-4(6)5(7)3-8/h4-5H,1-3H2/q-1/t4-,5-/m1/s1
InChIKeyKDAUXDLVEIYCPP-RFZPGFLSSA-N
MW120.12 g/mol
LogP0.77
Rot. Bonds

About (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine

(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine (PubChem CID 123412540) has the molecular formula C5H8F2N- and a molecular weight of 120.12 g/mol. Its IUPAC name is (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine.

Molecular Properties

Compound Name(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine
PubChem CID123412540
Molecular FormulaC5H8F2N-
Molecular Weight120.12 g/mol
Exact Mass120.06
IUPAC Name(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine
SMILES[CH2-]N1C[C@@H](F)[C@H](F)C1
InChIInChI=1S/C5H8F2N/c1-8-2-4(6)5(7)3-8/h4-5H,1-3H2/q-1/t4-,5-/m1/s1
InChIKeyKDAUXDLVEIYCPP-RFZPGFLSSA-N
XLogP0.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.12
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-3,4-difluoro-1-methylpyrrolidine
CID 70308023
(3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine
CID 67175459
3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779291
1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
(3,4-difluoropyrrolidin-1-yl) formate
CID 123526461
2-fluoro-1-azabicyclo[1.1.1]pentane
CID 175577171
N-(1-methanidylazetidin-3-yl)acetamide
CID 59822088
(3S,4S)-3-fluoro-1-methyl-4-(1-methylcyclopropyl)pyrrolidine
CID 59048022
ethane;methane;(1R,5S)-3-methanidyl-6-methyl-3,6-diazabicyclo[3.2.0]heptane;tungsten(2+)
CID 157075887
5-methanidyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 171466717
ethane;(3S,4R)-3-fluoro-1,4-dimethylpyrrolidine
CID 170715036
1-[(3aR,6aS)-2-methanidyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylpropan-1-one
CID 59704533

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine?
The IUPAC name of (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine (CID 123412540) is (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine.
What is the SMILES notation for (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine?
The canonical SMILES for (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine is [CH2-]N1C[C@@H](F)[C@H](F)C1.
What is the InChIKey of (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine?
The InChIKey is KDAUXDLVEIYCPP-RFZPGFLSSA-N. The full InChI is InChI=1S/C5H8F2N/c1-8-2-4(6)5(7)3-8/h4-5H,1-3H2/q-1/t4-,5-/m1/s1.
What are the key properties of (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine?
(3R,4R)-3,4-difluoro-1-methanidylpyrrolidine has a molecular weight of 120.12 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-difluoro-1-methanidylpyrrolidine is sourced from PubChem (CID 123412540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).