acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline

C9H8Cl2F3NO2 — CID 174707904

IUPACacetic acid;2,6-dichloro-4-(trifluoromethyl)aniline
SMILESCC(=O)O.Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H4Cl2F3N.C2H4O2/c8-4-1-3(7(10,11)12)2-5(9)6(4)13;1-2(3)4/h1-2H,13H2;1H3,(H,3,4)
InChIKeyGYFSEEDRZVHLNM-UHFFFAOYSA-N
MW290.07 g/mol
LogP3.69
Rot. Bonds

About acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline

acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline (PubChem CID 174707904) has the molecular formula C9H8Cl2F3NO2 and a molecular weight of 290.07 g/mol. Its IUPAC name is acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Nameacetic acid;2,6-dichloro-4-(trifluoromethyl)aniline
PubChem CID174707904
Molecular FormulaC9H8Cl2F3NO2
Molecular Weight290.07 g/mol
Exact Mass288.99
IUPAC Nameacetic acid;2,6-dichloro-4-(trifluoromethyl)aniline
SMILESCC(=O)O.Nc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIInChI=1S/C7H4Cl2F3N.C2H4O2/c8-4-1-3(7(10,11)12)2-5(9)6(4)13;1-2(3)4/h1-2H,13H2;1H3,(H,3,4)
InChIKeyGYFSEEDRZVHLNM-UHFFFAOYSA-N
XLogP3.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline?
The IUPAC name of acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline (CID 174707904) is acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline.
What is the SMILES notation for acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline?
The canonical SMILES for acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline is CC(=O)O.Nc1c(Cl)cc(C(F)(F)F)cc1Cl.
What is the InChIKey of acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline?
The InChIKey is GYFSEEDRZVHLNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F3N.C2H4O2/c8-4-1-3(7(10,11)12)2-5(9)6(4)13;1-2(3)4/h1-2H,13H2;1H3,(H,3,4).
What are the key properties of acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline?
acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline has a molecular weight of 290.07 g/mol, XLogP of 3.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,6-dichloro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 174707904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).