2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine

C14H13F3N2 — CID 62533529

IUPAC2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(F)cc1)c1c(N)ccc(F)c1F
InChIInChI=1S/C14H13F3N2/c1-2-19(10-5-3-9(15)4-6-10)14-12(18)8-7-11(16)13(14)17/h3-8H,2,18H2,1H3
InChIKeyQOPCTYFIIRDEIK-UHFFFAOYSA-N
MW266.27 g/mol
LogP3.84
Rot. Bonds3

About 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine

2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine (PubChem CID 62533529) has the molecular formula C14H13F3N2 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine
PubChem CID62533529
Molecular FormulaC14H13F3N2
Molecular Weight266.27 g/mol
Exact Mass266.10
IUPAC Name2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(F)cc1)c1c(N)ccc(F)c1F
InChIInChI=1S/C14H13F3N2/c1-2-19(10-5-3-9(15)4-6-10)14-12(18)8-7-11(16)13(14)17/h3-8H,2,18H2,1H3
InChIKeyQOPCTYFIIRDEIK-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 53.84
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

3-amino-2-(N-ethyl-4-fluoroanilino)benzoic acid
CID 115934782
2-N-ethyl-3,4-difluoro-2-N-propylbenzene-1,2-diamine
CID 62531626
methyl 3-amino-2-(N-ethyl-4-fluoroanilino)benzoate
CID 115934783
3,4-difluoro-2-N-methyl-2-N-phenylbenzene-1,2-diamine
CID 62532805
4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 66110346
2-amino-4-(N-ethyl-4-fluoroanilino)benzoic acid
CID 104500531
3-amino-N-ethyl-2,6-difluoro-N-(4-fluorophenyl)benzamide
CID 79758297
2-N-[3-(diethylamino)propyl]-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 102991239
2-N-cyclopentyl-2-N-ethyl-3,4-difluorobenzene-1,2-diamine
CID 62532833
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
3-(6-amino-N-ethyl-2,3-difluoroanilino)propanenitrile
CID 62532506
4-[(1R)-1-aminoethyl]-N-ethyl-N-(4-fluorophenyl)aniline
CID 78935285

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine (CID 62533529) is 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine is CCN(c1ccc(F)cc1)c1c(N)ccc(F)c1F.
What is the InChIKey of 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is QOPCTYFIIRDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2/c1-2-19(10-5-3-9(15)4-6-10)14-12(18)8-7-11(16)13(14)17/h3-8H,2,18H2,1H3.
What are the key properties of 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine?
2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine has a molecular weight of 266.27 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 62533529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).