2,2-difluoro-3-methylbutan-1-amine

C5H11F2N — CID 22002026

IUPAC2,2-difluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(F)CN
InChIInChI=1S/C5H11F2N/c1-4(2)5(6,7)3-8/h4H,3,8H2,1-2H3
InChIKeyARVRFOBWPXHUCA-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.24
Rot. Bonds2

About 2,2-difluoro-3-methylbutan-1-amine

2,2-difluoro-3-methylbutan-1-amine (PubChem CID 22002026) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is 2,2-difluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-methylbutan-1-amine
PubChem CID22002026
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC Name2,2-difluoro-3-methylbutan-1-amine
SMILESCC(C)C(F)(F)CN
InChIInChI=1S/C5H11F2N/c1-4(2)5(6,7)3-8/h4H,3,8H2,1-2H3
InChIKeyARVRFOBWPXHUCA-UHFFFAOYSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-3-methylbutan-1-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 2,2-difluoro-3-methylbutan-1-amine?
The IUPAC name of 2,2-difluoro-3-methylbutan-1-amine (CID 22002026) is 2,2-difluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-methylbutan-1-amine?
The canonical SMILES for 2,2-difluoro-3-methylbutan-1-amine is CC(C)C(F)(F)CN.
What is the InChIKey of 2,2-difluoro-3-methylbutan-1-amine?
The InChIKey is ARVRFOBWPXHUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N/c1-4(2)5(6,7)3-8/h4H,3,8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-methylbutan-1-amine?
2,2-difluoro-3-methylbutan-1-amine has a molecular weight of 123.15 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylbutan-1-amine is sourced from PubChem (CID 22002026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).