(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine

C9H18F2N2 — CID 67772316

IUPAC(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)8(12)5-13-4-3-9(10,11)6-13/h7-8H,3-6,12H2,1-2H3/t8-/m1/s1
InChIKeyMWNCXTQXGHLAIU-MRVPVSSYSA-N
MW192.25 g/mol
LogP1.31
Rot. Bonds3

About (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine

(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine (PubChem CID 67772316) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
PubChem CID67772316
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CN1CCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-7(2)8(12)5-13-4-3-9(10,11)6-13/h7-8H,3-6,12H2,1-2H3/t8-/m1/s1
InChIKeyMWNCXTQXGHLAIU-MRVPVSSYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine (CID 67772316) is (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine is CC(C)[C@H](N)CN1CCC(F)(F)C1.
What is the InChIKey of (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
The InChIKey is MWNCXTQXGHLAIU-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-7(2)8(12)5-13-4-3-9(10,11)6-13/h7-8H,3-6,12H2,1-2H3/t8-/m1/s1.
What are the key properties of (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine?
(2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine has a molecular weight of 192.25 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3,3-difluoropyrrolidin-1-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 67772316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).