N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine

C11H14ClF2N — CID 10059902

IUPACN-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClF2N/c1-3-15(4-2)11(13,14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyIANWIGDLARDZNM-UHFFFAOYSA-N
MW233.69 g/mol
LogP3.73
Rot. Bonds4

About N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine

N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine (PubChem CID 10059902) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine
PubChem CID10059902
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC NameN-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine
SMILESCCN(CC)C(F)(F)c1ccc(Cl)cc1
InChIInChI=1S/C11H14ClF2N/c1-3-15(4-2)11(13,14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3
InChIKeyIANWIGDLARDZNM-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 53.73
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-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine?
The IUPAC name of N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine (CID 10059902) is N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine is CCN(CC)C(F)(F)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine?
The InChIKey is IANWIGDLARDZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2N/c1-3-15(4-2)11(13,14)9-5-7-10(12)8-6-9/h5-8H,3-4H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine?
N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine has a molecular weight of 233.69 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-difluoromethyl]-N-ethylethanamine is sourced from PubChem (CID 10059902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).