N-(difluoromethyl)-N-ethylethanamine

C5H11F2N — CID 10441701

IUPACN-(difluoromethyl)-N-ethylethanamine
SMILESCCN(CC)C(F)F
InChIInChI=1S/C5H11F2N/c1-3-8(4-2)5(6)7/h5H,3-4H2,1-2H3
InChIKeySNVLYNKBFVTLLJ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.55
Rot. Bonds3

About N-(difluoromethyl)-N-ethylethanamine

N-(difluoromethyl)-N-ethylethanamine (PubChem CID 10441701) has the molecular formula C5H11F2N and a molecular weight of 123.15 g/mol. Its IUPAC name is N-(difluoromethyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(difluoromethyl)-N-ethylethanamine
PubChem CID10441701
Molecular FormulaC5H11F2N
Molecular Weight123.15 g/mol
Exact Mass123.09
IUPAC NameN-(difluoromethyl)-N-ethylethanamine
SMILESCCN(CC)C(F)F
InChIInChI=1S/C5H11F2N/c1-3-8(4-2)5(6)7/h5H,3-4H2,1-2H3
InChIKeySNVLYNKBFVTLLJ-UHFFFAOYSA-N
XLogP1.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(difluoromethyl)-N-ethylethanamine 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-(difluoromethyl)-N-ethylethanamine?
The IUPAC name of N-(difluoromethyl)-N-ethylethanamine (CID 10441701) is N-(difluoromethyl)-N-ethylethanamine.
What is the SMILES notation for N-(difluoromethyl)-N-ethylethanamine?
The canonical SMILES for N-(difluoromethyl)-N-ethylethanamine is CCN(CC)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-ethylethanamine?
The InChIKey is SNVLYNKBFVTLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N/c1-3-8(4-2)5(6)7/h5H,3-4H2,1-2H3.
What are the key properties of N-(difluoromethyl)-N-ethylethanamine?
N-(difluoromethyl)-N-ethylethanamine has a molecular weight of 123.15 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-ethylethanamine is sourced from PubChem (CID 10441701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).