2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine

C11H12Cl2FN — CID 112567048

IUPAC2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine
SMILESNCC(F)(c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C11H12Cl2FN/c12-9-4-3-8(5-10(9)13)11(14,6-15)7-1-2-7/h3-5,7H,1-2,6,15H2
InChIKeyZQKZVMUSQLAOOV-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.53
Rot. Bonds3

About 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine

2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine (PubChem CID 112567048) has the molecular formula C11H12Cl2FN and a molecular weight of 248.13 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine
PubChem CID112567048
Molecular FormulaC11H12Cl2FN
Molecular Weight248.13 g/mol
Exact Mass247.03
IUPAC Name2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine
SMILESNCC(F)(c1ccc(Cl)c(Cl)c1)C1CC1
InChIInChI=1S/C11H12Cl2FN/c12-9-4-3-8(5-10(9)13)11(14,6-15)7-1-2-7/h3-5,7H,1-2,6,15H2
InChIKeyZQKZVMUSQLAOOV-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine?
The IUPAC name of 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine (CID 112567048) is 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine.
What is the SMILES notation for 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine?
The canonical SMILES for 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine is NCC(F)(c1ccc(Cl)c(Cl)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine?
The InChIKey is ZQKZVMUSQLAOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FN/c12-9-4-3-8(5-10(9)13)11(14,6-15)7-1-2-7/h3-5,7H,1-2,6,15H2.
What are the key properties of 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine?
2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine has a molecular weight of 248.13 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3,4-dichlorophenyl)-2-fluoroethanamine is sourced from PubChem (CID 112567048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).