3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine

C14H12F4N2 — CID 143758150

IUPAC3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1c(F)cc(F)c(F)c1Nc1ccc(C)cc1F
InChIInChI=1S/C14H12F4N2/c1-7-3-4-11(8(15)5-7)20-14-12(18)9(16)6-10(17)13(14)19-2/h3-6,19-20H,1-2H3
InChIKeyRHZZXHSRGZMWPP-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.34
Rot. Bonds3

About 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine

3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine (PubChem CID 143758150) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
PubChem CID143758150
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
SMILESCNc1c(F)cc(F)c(F)c1Nc1ccc(C)cc1F
InChIInChI=1S/C14H12F4N2/c1-7-3-4-11(8(15)5-7)20-14-12(18)9(16)6-10(17)13(14)19-2/h3-6,19-20H,1-2H3
InChIKeyRHZZXHSRGZMWPP-UHFFFAOYSA-N
XLogP4.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)phenyl]ethanone
CID 176938927
3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 176938871
ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 143399809
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
ethane;formaldehyde;3-[1-[3,4,6-trifluoro-2-(2-fluoro-4-methylanilino)anilino]cyclopropyl]propane-1,2-diol
CID 143399866
ethane;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
CID 143879990
3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-prop-1-ynylbenzamide
CID 176938942
3-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,3-diamine
CID 112647070
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine (CID 143758150) is 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine is CNc1c(F)cc(F)c(F)c1Nc1ccc(C)cc1F.
What is the InChIKey of 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine?
The InChIKey is RHZZXHSRGZMWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-7-3-4-11(8(15)5-7)20-14-12(18)9(16)6-10(17)13(14)19-2/h3-6,19-20H,1-2H3.
What are the key properties of 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine?
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine has a molecular weight of 284.26 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 143758150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).