3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine

C7H6F4N2 — CID 146329780

IUPAC3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H6F4N2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h13H,12H2,1H3
InChIKeyAYPGJJRYLXMHGS-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.87
Rot. Bonds1

About 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine

3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine (PubChem CID 146329780) has the molecular formula C7H6F4N2 and a molecular weight of 194.13 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine
PubChem CID146329780
Molecular FormulaC7H6F4N2
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine
SMILESCNc1c(N)c(F)c(F)c(F)c1F
InChIInChI=1S/C7H6F4N2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h13H,12H2,1H3
InChIKeyAYPGJJRYLXMHGS-UHFFFAOYSA-N
XLogP1.87
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-6-hydrazinylaniline
CID 146620564
azane;2,3,4,5,6-pentafluoroaniline
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2,3,5-trifluoro-1-N-methylbenzene-1,4-diamine
CID 18457361
2-N,4,6-trimethylbenzene-1,2,3-triamine
CID 163890734
2-chloro-4,5,6-trifluoro-3-propan-2-ylaniline
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CID 174020290
CID 174020290
2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine
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3-amino-2,4,5,6-tetrafluorophenol
CID 12558020
ethane;2,3,5,6-tetrafluoroaniline
CID 154678720
2,3,4,5,6-pentafluoro-N-[methyl-(2,3,4,5,6-pentafluoroanilino)alumanyl]aniline
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8-fluoro-N-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
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1-(2-acetyl-6-amino-3,4,5-trifluorophenyl)ethanone
CID 87737254

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine?
The IUPAC name of 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine (CID 146329780) is 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine?
The canonical SMILES for 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine is CNc1c(N)c(F)c(F)c(F)c1F.
What is the InChIKey of 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine?
The InChIKey is AYPGJJRYLXMHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h13H,12H2,1H3.
What are the key properties of 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine?
3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine has a molecular weight of 194.13 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 146329780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).