4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline

C9H10BrClFN — CID 130735261

IUPAC4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline
SMILESCN(CCF)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClFN/c1-13(5-4-12)9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyFJHMTKHYYIKZFY-UHFFFAOYSA-N
MW266.54 g/mol
LogP3.51
Rot. Bonds3

About 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline

4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline (PubChem CID 130735261) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline
PubChem CID130735261
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline
SMILESCN(CCF)c1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClFN/c1-13(5-4-12)9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3
InChIKeyFJHMTKHYYIKZFY-UHFFFAOYSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline?
The IUPAC name of 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline (CID 130735261) is 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline.
What is the SMILES notation for 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline?
The canonical SMILES for 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline is CN(CCF)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline?
The InChIKey is FJHMTKHYYIKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFN/c1-13(5-4-12)9-3-2-7(10)6-8(9)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline?
4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline has a molecular weight of 266.54 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline is sourced from PubChem (CID 130735261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).