4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

C9H10F4N2 — CID 62378502

IUPAC4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCN(CC(F)(F)F)c1cc(F)ccc1N
InChIInChI=1S/C9H10F4N2/c1-15(5-9(11,12)13)8-4-6(10)2-3-7(8)14/h2-4H,5,14H2,1H3
InChIKeyQWPMZHCAVOPYDG-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.41
Rot. Bonds2

About 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine

4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (PubChem CID 62378502) has the molecular formula C9H10F4N2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
PubChem CID62378502
Molecular FormulaC9H10F4N2
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC Name4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
SMILESCN(CC(F)(F)F)c1cc(F)ccc1N
InChIInChI=1S/C9H10F4N2/c1-15(5-9(11,12)13)8-4-6(10)2-3-7(8)14/h2-4H,5,14H2,1H3
InChIKeyQWPMZHCAVOPYDG-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-4-fluoro-2-N-methylbenzene-1,2-diamine
CID 63693587
4-amino-N,N-dimethyl-3-[methyl(2,2,2-trifluoroethyl)amino]benzamide
CID 63361146
2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
CID 60891924
4-fluoro-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 55006653
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
2-(2-amino-5-fluoro-N-methylanilino)ethyl-methylcarbamic acid
CID 135325242
4-fluoro-2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)benzene-1,2-diamine
CID 63206874
2-[(dimethylamino)methyl]-4-fluoroaniline
CID 43443724
4-N-methyl-4-N-(2,2,2-trifluoroethyl)-2,1,3-benzoxadiazole-4,7-diamine
CID 60891927
4-fluoro-2-N-methyl-2-N-[2-(1H-pyrrol-2-yl)ethyl]benzene-1,2-diamine
CID 115124214
4-fluoro-2-N-methyl-2-N-[2-(3-methylphenyl)ethyl]benzene-1,2-diamine
CID 115124219

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine (CID 62378502) is 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is CN(CC(F)(F)F)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
The InChIKey is QWPMZHCAVOPYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2/c1-15(5-9(11,12)13)8-4-6(10)2-3-7(8)14/h2-4H,5,14H2,1H3.
What are the key properties of 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine?
4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine has a molecular weight of 222.19 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-N-methyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine is sourced from PubChem (CID 62378502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).