1,1-difluoro-3-methylbut-3-en-2-amine

C5H9F2N — CID 103516835

IUPAC1,1-difluoro-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)C(F)F
InChIInChI=1S/C5H9F2N/c1-3(2)4(8)5(6)7/h4-5H,1,8H2,2H3
InChIKeyHBQKZKBTNHFBNP-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.15
Rot. Bonds2

About 1,1-difluoro-3-methylbut-3-en-2-amine

1,1-difluoro-3-methylbut-3-en-2-amine (PubChem CID 103516835) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 1,1-difluoro-3-methylbut-3-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-methylbut-3-en-2-amine
PubChem CID103516835
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name1,1-difluoro-3-methylbut-3-en-2-amine
SMILESC=C(C)C(N)C(F)F
InChIInChI=1S/C5H9F2N/c1-3(2)4(8)5(6)7/h4-5H,1,8H2,2H3
InChIKeyHBQKZKBTNHFBNP-UHFFFAOYSA-N
XLogP1.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-3-methylbut-3-en-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 1,1-difluoro-3-methylbut-3-en-2-amine?
The IUPAC name of 1,1-difluoro-3-methylbut-3-en-2-amine (CID 103516835) is 1,1-difluoro-3-methylbut-3-en-2-amine.
What is the SMILES notation for 1,1-difluoro-3-methylbut-3-en-2-amine?
The canonical SMILES for 1,1-difluoro-3-methylbut-3-en-2-amine is C=C(C)C(N)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methylbut-3-en-2-amine?
The InChIKey is HBQKZKBTNHFBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-3(2)4(8)5(6)7/h4-5H,1,8H2,2H3.
What are the key properties of 1,1-difluoro-3-methylbut-3-en-2-amine?
1,1-difluoro-3-methylbut-3-en-2-amine has a molecular weight of 121.13 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylbut-3-en-2-amine is sourced from PubChem (CID 103516835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).