4-fluoro-3-(fluoromethyl)-N-methylaniline

C8H9F2N — CID 118176037

IUPAC4-fluoro-3-(fluoromethyl)-N-methylaniline
SMILESCNc1ccc(F)c(CF)c1
InChIInChI=1S/C8H9F2N/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,11H,5H2,1H3
InChIKeyJRUOIJQICYXUEL-UHFFFAOYSA-N
MW157.16 g/mol
LogP2.34
Rot. Bonds2

About 4-fluoro-3-(fluoromethyl)-N-methylaniline

4-fluoro-3-(fluoromethyl)-N-methylaniline (PubChem CID 118176037) has the molecular formula C8H9F2N and a molecular weight of 157.16 g/mol. Its IUPAC name is 4-fluoro-3-(fluoromethyl)-N-methylaniline.

Molecular Properties

Compound Name4-fluoro-3-(fluoromethyl)-N-methylaniline
PubChem CID118176037
Molecular FormulaC8H9F2N
Molecular Weight157.16 g/mol
Exact Mass157.07
IUPAC Name4-fluoro-3-(fluoromethyl)-N-methylaniline
SMILESCNc1ccc(F)c(CF)c1
InChIInChI=1S/C8H9F2N/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,11H,5H2,1H3
InChIKeyJRUOIJQICYXUEL-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(fluoromethyl)-N-methylaniline?
The IUPAC name of 4-fluoro-3-(fluoromethyl)-N-methylaniline (CID 118176037) is 4-fluoro-3-(fluoromethyl)-N-methylaniline.
What is the SMILES notation for 4-fluoro-3-(fluoromethyl)-N-methylaniline?
The canonical SMILES for 4-fluoro-3-(fluoromethyl)-N-methylaniline is CNc1ccc(F)c(CF)c1.
What is the InChIKey of 4-fluoro-3-(fluoromethyl)-N-methylaniline?
The InChIKey is JRUOIJQICYXUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4,11H,5H2,1H3.
What are the key properties of 4-fluoro-3-(fluoromethyl)-N-methylaniline?
4-fluoro-3-(fluoromethyl)-N-methylaniline has a molecular weight of 157.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(fluoromethyl)-N-methylaniline is sourced from PubChem (CID 118176037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).