ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine

C17H21F3N2 — CID 143399809

IUPACethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
SMILESCC.CCc1cc(F)c(F)c(Nc2ccc(C)cc2F)c1N
InChIInChI=1S/C15H15F3N2.C2H6/c1-3-9-7-11(17)13(18)15(14(9)19)20-12-5-4-8(2)6-10(12)16;1-2/h4-7,20H,3,19H2,1-2H3;1-2H3
InChIKeyZKACEHICIFXBMW-UHFFFAOYSA-N
MW310.36 g/mol
LogP5.33
Rot. Bonds3

About ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine

ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine (PubChem CID 143399809) has the molecular formula C17H21F3N2 and a molecular weight of 310.36 g/mol. Its IUPAC name is ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Nameethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
PubChem CID143399809
Molecular FormulaC17H21F3N2
Molecular Weight310.36 g/mol
Exact Mass310.17
IUPAC Nameethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
SMILESCC.CCc1cc(F)c(F)c(Nc2ccc(C)cc2F)c1N
InChIInChI=1S/C15H15F3N2.C2H6/c1-3-9-7-11(17)13(18)15(14(9)19)20-12-5-4-8(2)6-10(12)16;1-2/h4-7,20H,3,19H2,1-2H3;1-2H3
InChIKeyZKACEHICIFXBMW-UHFFFAOYSA-N
XLogP5.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.36
LogP ≤ 55.33
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;6-ethyl-2,3-difluoro-N-(2-fluoro-4-methylphenyl)aniline;methanamine;pentane
CID 143879990
3,4,6-trifluoro-2-N-(2-fluoro-4-methylphenyl)-1-N-methylbenzene-1,2-diamine
CID 143758150
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
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
3,4-difluoro-2-(2-fluoro-4-methylanilino)-5-[(hydroxyamino)methyl]benzamide;ethane
CID 143173019
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methylbenzamide
CID 143223174
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-methoxybenzamide;ethane
CID 164602895
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
3,4-difluoro-2-(2-fluoro-4-methylanilino)-6-prop-1-ynylbenzamide
CID 176938942

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
The IUPAC name of ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine (CID 143399809) is ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine.
What is the SMILES notation for ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
The canonical SMILES for ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine is CC.CCc1cc(F)c(F)c(Nc2ccc(C)cc2F)c1N.
What is the InChIKey of ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
The InChIKey is ZKACEHICIFXBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2.C2H6/c1-3-9-7-11(17)13(18)15(14(9)19)20-12-5-4-8(2)6-10(12)16;1-2/h4-7,20H,3,19H2,1-2H3;1-2H3.
What are the key properties of ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine?
ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine has a molecular weight of 310.36 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-3,4-difluoro-2-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 143399809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).