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3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride

C8H8ClF4N — CID 155973042

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride
SMILESCNc1ccc(C(F)(F)F)c(F)c1.Cl
InChIInChI=1S/C8H7F4N.ClH/c1-13-5-2-3-6(7(9)4-5)8(10,11)12;/h2-4,13H,1H3;1H
InChIKeyVDFYHKJYXBKERU-UHFFFAOYSA-N
MW229.60 g/mol
LogP3.31
Rot. Bonds1

About 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride

3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride (PubChem CID 155973042) has the molecular formula C8H8ClF4N and a molecular weight of 229.60 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride
PubChem CID155973042
Molecular FormulaC8H8ClF4N
Molecular Weight229.60 g/mol
Exact Mass229.03
IUPAC Name3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride
SMILESCNc1ccc(C(F)(F)F)c(F)c1.Cl
InChIInChI=1S/C8H7F4N.ClH/c1-13-5-2-3-6(7(9)4-5)8(10,11)12;/h2-4,13H,1H3;1H
InChIKeyVDFYHKJYXBKERU-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.60
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride (CID 155973042) is 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride is CNc1ccc(C(F)(F)F)c(F)c1.Cl.
What is the InChIKey of 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride?
The InChIKey is VDFYHKJYXBKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4N.ClH/c1-13-5-2-3-6(7(9)4-5)8(10,11)12;/h2-4,13H,1H3;1H.
What are the key properties of 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride?
3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride has a molecular weight of 229.60 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 155973042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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