2,5-difluoro-3-N-methylbenzene-1,3-diamine

C7H8F2N2 — CID 141091770

IUPAC2,5-difluoro-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(F)cc(N)c1F
InChIInChI=1S/C7H8F2N2/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3,11H,10H2,1H3
InChIKeyAWQKLJIUTOIIFB-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.59
Rot. Bonds1

About 2,5-difluoro-3-N-methylbenzene-1,3-diamine

2,5-difluoro-3-N-methylbenzene-1,3-diamine (PubChem CID 141091770) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,5-difluoro-3-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name2,5-difluoro-3-N-methylbenzene-1,3-diamine
PubChem CID141091770
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name2,5-difluoro-3-N-methylbenzene-1,3-diamine
SMILESCNc1cc(F)cc(N)c1F
InChIInChI=1S/C7H8F2N2/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3,11H,10H2,1H3
InChIKeyAWQKLJIUTOIIFB-UHFFFAOYSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;molecular hydrogen;2,3,5-trifluoroaniline
CID 145314884
2,3,5-trifluoro-1-N-methylbenzene-1,4-diamine
CID 18457361
3-cyclopropyloxy-2,5-difluoro-N-methylaniline
CID 166708869
5-fluoro-3-N-(2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 154997215
4-fluoro-2-N,5-dimethylbenzene-1,2-diamine
CID 123370142
5-fluoro-2-N-methylpyridine-2,3-diamine
CID 84648615
5-fluoro-3-N-(2-fluoro-6-methylphenyl)-2-methylbenzene-1,3-diamine
CID 154647860
2-(2,3,5-trifluoroanilino)acetonitrile
CID 62810613
5-fluoro-2-N-methyl-3-pyrimidin-2-ylbenzene-1,2-diamine
CID 143191089
2-N-methyl-4-(2,3,4,5,6-pentafluorophenoxy)benzene-1,2-diamine
CID 18461398
N-[(3-amino-2,5-difluorophenyl)carbamoyl]-2-chlorobenzamide
CID 86041149
6-methoxy-2-N-(2,3,5-trifluorophenyl)pyridine-2,5-diamine
CID 62808949

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-3-N-methylbenzene-1,3-diamine?
The IUPAC name of 2,5-difluoro-3-N-methylbenzene-1,3-diamine (CID 141091770) is 2,5-difluoro-3-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 2,5-difluoro-3-N-methylbenzene-1,3-diamine?
The canonical SMILES for 2,5-difluoro-3-N-methylbenzene-1,3-diamine is CNc1cc(F)cc(N)c1F.
What is the InChIKey of 2,5-difluoro-3-N-methylbenzene-1,3-diamine?
The InChIKey is AWQKLJIUTOIIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-11-6-3-4(8)2-5(10)7(6)9/h2-3,11H,10H2,1H3.
What are the key properties of 2,5-difluoro-3-N-methylbenzene-1,3-diamine?
2,5-difluoro-3-N-methylbenzene-1,3-diamine has a molecular weight of 158.15 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-3-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 141091770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).