N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine

C8H15F2N — CID 57486593

IUPACN-[cyclopropyl(difluoro)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)C1CC1
InChIInChI=1S/C8H15F2N/c1-3-11(4-2)8(9,10)7-5-6-7/h7H,3-6H2,1-2H3
InChIKeyAHPMAFXFSZEGFF-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.33
Rot. Bonds4

About N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine

N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine (PubChem CID 57486593) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[cyclopropyl(difluoro)methyl]-N-ethylethanamine
PubChem CID57486593
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-[cyclopropyl(difluoro)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)C1CC1
InChIInChI=1S/C8H15F2N/c1-3-11(4-2)8(9,10)7-5-6-7/h7H,3-6H2,1-2H3
InChIKeyAHPMAFXFSZEGFF-UHFFFAOYSA-N
XLogP2.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine?
The IUPAC name of N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine (CID 57486593) is N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine?
The canonical SMILES for N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine is CCN(CC)C(F)(F)C1CC1.
What is the InChIKey of N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine?
The InChIKey is AHPMAFXFSZEGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-11(4-2)8(9,10)7-5-6-7/h7H,3-6H2,1-2H3.
What are the key properties of N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine?
N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine has a molecular weight of 163.21 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(difluoro)methyl]-N-ethylethanamine is sourced from PubChem (CID 57486593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).