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

C11H15F2N — CID 10397863

IUPACN-[difluoro(phenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccccc1
InChIInChI=1S/C11H15F2N/c1-3-14(4-2)11(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyMPECRULPNLVTCP-UHFFFAOYSA-N
MW199.24 g/mol
LogP3.08
Rot. Bonds4

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

N-[difluoro(phenyl)methyl]-N-ethylethanamine (PubChem CID 10397863) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is N-[difluoro(phenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[difluoro(phenyl)methyl]-N-ethylethanamine
PubChem CID10397863
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC NameN-[difluoro(phenyl)methyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccccc1
InChIInChI=1S/C11H15F2N/c1-3-14(4-2)11(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKeyMPECRULPNLVTCP-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 53.08
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-[difluoro(phenyl)methyl]-N-ethylethanamine?
The IUPAC name of N-[difluoro(phenyl)methyl]-N-ethylethanamine (CID 10397863) is N-[difluoro(phenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[difluoro(phenyl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[difluoro(phenyl)methyl]-N-ethylethanamine is CCN(CC)C(F)(F)c1ccccc1.
What is the InChIKey of N-[difluoro(phenyl)methyl]-N-ethylethanamine?
The InChIKey is MPECRULPNLVTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N/c1-3-14(4-2)11(12,13)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3.
What are the key properties of N-[difluoro(phenyl)methyl]-N-ethylethanamine?
N-[difluoro(phenyl)methyl]-N-ethylethanamine has a molecular weight of 199.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[difluoro(phenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 10397863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).