1,1-difluoro-N,N-dimethylprop-2-en-1-amine

C5H9F2N — CID 121361161

IUPAC1,1-difluoro-N,N-dimethylprop-2-en-1-amine
SMILESC=CC(F)(F)N(C)C
InChIInChI=1S/C5H9F2N/c1-4-5(6,7)8(2)3/h4H,1H2,2-3H3
InChIKeyFHXNMVAELMIBIQ-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.33
Rot. Bonds2

About 1,1-difluoro-N,N-dimethylprop-2-en-1-amine

1,1-difluoro-N,N-dimethylprop-2-en-1-amine (PubChem CID 121361161) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 1,1-difluoro-N,N-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1,1-difluoro-N,N-dimethylprop-2-en-1-amine
PubChem CID121361161
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name1,1-difluoro-N,N-dimethylprop-2-en-1-amine
SMILESC=CC(F)(F)N(C)C
InChIInChI=1S/C5H9F2N/c1-4-5(6,7)8(2)3/h4H,1H2,2-3H3
InChIKeyFHXNMVAELMIBIQ-UHFFFAOYSA-N
XLogP1.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoro-N,N-dimethylprop-2-en-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 1,1-difluoro-N,N-dimethylprop-2-en-1-amine?
The IUPAC name of 1,1-difluoro-N,N-dimethylprop-2-en-1-amine (CID 121361161) is 1,1-difluoro-N,N-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1,1-difluoro-N,N-dimethylprop-2-en-1-amine?
The canonical SMILES for 1,1-difluoro-N,N-dimethylprop-2-en-1-amine is C=CC(F)(F)N(C)C.
What is the InChIKey of 1,1-difluoro-N,N-dimethylprop-2-en-1-amine?
The InChIKey is FHXNMVAELMIBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-4-5(6,7)8(2)3/h4H,1H2,2-3H3.
What are the key properties of 1,1-difluoro-N,N-dimethylprop-2-en-1-amine?
1,1-difluoro-N,N-dimethylprop-2-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,N-dimethylprop-2-en-1-amine is sourced from PubChem (CID 121361161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).