1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine

C14H14F2N2 — CID 115506549

IUPAC1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine
SMILESCCc1ccc(Nc2cc(F)cc(F)c2N)cc1
InChIInChI=1S/C14H14F2N2/c1-2-9-3-5-11(6-4-9)18-13-8-10(15)7-12(16)14(13)17/h3-8,18H,2,17H2,1H3
InChIKeyZFTZONVOOYUBEH-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.85
Rot. Bonds3

About 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine

1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine (PubChem CID 115506549) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine
PubChem CID115506549
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine
SMILESCCc1ccc(Nc2cc(F)cc(F)c2N)cc1
InChIInChI=1S/C14H14F2N2/c1-2-9-3-5-11(6-4-9)18-13-8-10(15)7-12(16)14(13)17/h3-8,18H,2,17H2,1H3
InChIKeyZFTZONVOOYUBEH-UHFFFAOYSA-N
XLogP3.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.85
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

1-N-(4-tert-butylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506512
3,5-difluoro-1-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 113325112
3,5-difluoro-1-N-(4-fluoro-2-methylphenyl)benzene-1,2-diamine
CID 113325134
1-N-(3,5-dimethylphenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506548
3,5-difluoro-1-N-(4-fluoro-2-iodophenyl)benzene-1,2-diamine
CID 113325343
2-N-(4-butylphenyl)-4-fluorobenzene-1,2-diamine
CID 63403132
1-N-(5-chloro-2-fluorophenyl)-3,5-difluorobenzene-1,2-diamine
CID 115506596
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
3,5-difluoro-1-N-thiophen-3-ylbenzene-1,2-diamine
CID 115507118
1-N-(4-ethylphenyl)-2-methylbenzene-1,4-diamine
CID 43165590
3,5-difluoro-1-N-(3-iodophenyl)benzene-1,2-diamine
CID 115506539
4-N-(2,4-difluorophenyl)benzene-1,4-diamine
CID 4764057

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine (CID 115506549) is 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine is CCc1ccc(Nc2cc(F)cc(F)c2N)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine?
The InChIKey is ZFTZONVOOYUBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-2-9-3-5-11(6-4-9)18-13-8-10(15)7-12(16)14(13)17/h3-8,18H,2,17H2,1H3.
What are the key properties of 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine?
1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine has a molecular weight of 248.28 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-3,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 115506549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).