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

C9H10F4N2 — CID 60891924

IUPAC2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESCN(CC(F)(F)F)c1ccc(N)cc1F
InChIInChI=1S/C9H10F4N2/c1-15(5-9(11,12)13)8-3-2-6(14)4-7(8)10/h2-4H,5,14H2,1H3
InChIKeyLQUOUZRBBKGBSQ-UHFFFAOYSA-N
MW222.19 g/mol
LogP2.41
Rot. Bonds2

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

2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (PubChem CID 60891924) has the molecular formula C9H10F4N2 and a molecular weight of 222.19 g/mol. Its IUPAC name is 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
PubChem CID60891924
Molecular FormulaC9H10F4N2
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC Name2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine
SMILESCN(CC(F)(F)F)c1ccc(N)cc1F
InChIInChI=1S/C9H10F4N2/c1-15(5-9(11,12)13)8-3-2-6(14)4-7(8)10/h2-4H,5,14H2,1H3
InChIKeyLQUOUZRBBKGBSQ-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': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine (CID 60891924) is 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is CN(CC(F)(F)F)c1ccc(N)cc1F.
What is the InChIKey of 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
The InChIKey is LQUOUZRBBKGBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2/c1-15(5-9(11,12)13)8-3-2-6(14)4-7(8)10/h2-4H,5,14H2,1H3.
What are the key properties of 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine?
2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-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 2-fluoro-1-N-methyl-1-N-(2,2,2-trifluoroethyl)benzene-1,4-diamine is sourced from PubChem (CID 60891924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).