N-ethyl-3,3-difluoroprop-2-en-1-amine

C5H9F2N — CID 59155019

IUPACN-ethyl-3,3-difluoroprop-2-en-1-amine
SMILESCCNCC=C(F)F
InChIInChI=1S/C5H9F2N/c1-2-8-4-3-5(6)7/h3,8H,2,4H2,1H3
InChIKeyIZXHWELLPHAPJU-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.38
Rot. Bonds3

About N-ethyl-3,3-difluoroprop-2-en-1-amine

N-ethyl-3,3-difluoroprop-2-en-1-amine (PubChem CID 59155019) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is N-ethyl-3,3-difluoroprop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-difluoroprop-2-en-1-amine
PubChem CID59155019
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC NameN-ethyl-3,3-difluoroprop-2-en-1-amine
SMILESCCNCC=C(F)F
InChIInChI=1S/C5H9F2N/c1-2-8-4-3-5(6)7/h3,8H,2,4H2,1H3
InChIKeyIZXHWELLPHAPJU-UHFFFAOYSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-ethyl-3,3-difluoroprop-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 N-ethyl-3,3-difluoroprop-2-en-1-amine?
The IUPAC name of N-ethyl-3,3-difluoroprop-2-en-1-amine (CID 59155019) is N-ethyl-3,3-difluoroprop-2-en-1-amine.
What is the SMILES notation for N-ethyl-3,3-difluoroprop-2-en-1-amine?
The canonical SMILES for N-ethyl-3,3-difluoroprop-2-en-1-amine is CCNCC=C(F)F.
What is the InChIKey of N-ethyl-3,3-difluoroprop-2-en-1-amine?
The InChIKey is IZXHWELLPHAPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-2-8-4-3-5(6)7/h3,8H,2,4H2,1H3.
What are the key properties of N-ethyl-3,3-difluoroprop-2-en-1-amine?
N-ethyl-3,3-difluoroprop-2-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-difluoroprop-2-en-1-amine is sourced from PubChem (CID 59155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).