3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline

C8H6Cl2F3N — CID 30051717

IUPAC3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2F3N/c9-5-1-6(10)3-7(2-5)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeySTMGXIZOQUSLLR-UHFFFAOYSA-N
MW244.04 g/mol
LogP3.97
Rot. Bonds2

About 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline

3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 30051717) has the molecular formula C8H6Cl2F3N and a molecular weight of 244.04 g/mol. Its IUPAC name is 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline
PubChem CID30051717
Molecular FormulaC8H6Cl2F3N
Molecular Weight244.04 g/mol
Exact Mass242.98
IUPAC Name3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline
SMILESFC(F)(F)CNc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H6Cl2F3N/c9-5-1-6(10)3-7(2-5)14-4-8(11,12)13/h1-3,14H,4H2
InChIKeySTMGXIZOQUSLLR-UHFFFAOYSA-N
XLogP3.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline (CID 30051717) is 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline is FC(F)(F)CNc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is STMGXIZOQUSLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N/c9-5-1-6(10)3-7(2-5)14-4-8(11,12)13/h1-3,14H,4H2.
What are the key properties of 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline?
3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 244.04 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 30051717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).