N-benzyl-1-cyclopropyl-2,2-difluoroethanamine

C12H15F2N — CID 131114338

IUPACN-benzyl-1-cyclopropyl-2,2-difluoroethanamine
SMILESFC(F)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H15F2N/c13-12(14)11(10-6-7-10)15-8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2
InChIKeyINKJOYNRPLUBKT-UHFFFAOYSA-N
MW211.25 g/mol
LogP2.82
Rot. Bonds5

About N-benzyl-1-cyclopropyl-2,2-difluoroethanamine

N-benzyl-1-cyclopropyl-2,2-difluoroethanamine (PubChem CID 131114338) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is N-benzyl-1-cyclopropyl-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-benzyl-1-cyclopropyl-2,2-difluoroethanamine
PubChem CID131114338
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC NameN-benzyl-1-cyclopropyl-2,2-difluoroethanamine
SMILESFC(F)C(NCc1ccccc1)C1CC1
InChIInChI=1S/C12H15F2N/c13-12(14)11(10-6-7-10)15-8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2
InChIKeyINKJOYNRPLUBKT-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
The IUPAC name of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine (CID 131114338) is N-benzyl-1-cyclopropyl-2,2-difluoroethanamine.
What is the SMILES notation for N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
The canonical SMILES for N-benzyl-1-cyclopropyl-2,2-difluoroethanamine is FC(F)C(NCc1ccccc1)C1CC1.
What is the InChIKey of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
The InChIKey is INKJOYNRPLUBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N/c13-12(14)11(10-6-7-10)15-8-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2.
What are the key properties of N-benzyl-1-cyclopropyl-2,2-difluoroethanamine?
N-benzyl-1-cyclopropyl-2,2-difluoroethanamine has a molecular weight of 211.25 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclopropyl-2,2-difluoroethanamine is sourced from PubChem (CID 131114338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).