1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine

C14H12F4N2 — CID 29067499

IUPAC1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccc(C(F)(F)F)cc2N)c(F)c1
InChIInChI=1S/C14H12F4N2/c1-8-2-4-12(10(15)6-8)20-13-5-3-9(7-11(13)19)14(16,17)18/h2-7,20H,19H2,1H3
InChIKeyIZRUKFSRUZHMCS-UHFFFAOYSA-N
MW284.26 g/mol
LogP4.48
Rot. Bonds2

About 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine

1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine (PubChem CID 29067499) has the molecular formula C14H12F4N2 and a molecular weight of 284.26 g/mol. Its IUPAC name is 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
PubChem CID29067499
Molecular FormulaC14H12F4N2
Molecular Weight284.26 g/mol
Exact Mass284.09
IUPAC Name1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
SMILESCc1ccc(Nc2ccc(C(F)(F)F)cc2N)c(F)c1
InChIInChI=1S/C14H12F4N2/c1-8-2-4-12(10(15)6-8)20-13-5-3-9(7-11(13)19)14(16,17)18/h2-7,20H,19H2,1H3
InChIKeyIZRUKFSRUZHMCS-UHFFFAOYSA-N
XLogP4.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.26
LogP ≤ 54.48
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

2-(2-amino-4-methylanilino)-5-(trifluoromethyl)benzonitrile
CID 115910953
1-N-(4-bromo-2-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 29066652
1-N-(2-fluorophenyl)-4-methylbenzene-1,2-diamine
CID 43168899
1-N-(2-chloro-5-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 107526797
1-N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 65435093
1-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590407
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
4-chloro-1-N-[2-chloro-4-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 63667774
4-iodo-1-N-[2-methyl-5-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 66480127
4-methyl-N-[2-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 164671862
3-fluoro-1-N-(2-fluoro-4-methylphenyl)benzene-1,2-diamine
CID 60789566
2-chloro-4-N-(2-fluoro-4-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554521

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine (CID 29067499) is 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine is Cc1ccc(Nc2ccc(C(F)(F)F)cc2N)c(F)c1.
What is the InChIKey of 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
The InChIKey is IZRUKFSRUZHMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2/c1-8-2-4-12(10(15)6-8)20-13-5-3-9(7-11(13)19)14(16,17)18/h2-7,20H,19H2,1H3.
What are the key properties of 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine?
1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine has a molecular weight of 284.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluoro-4-methylphenyl)-4-(trifluoromethyl)benzene-1,2-diamine is sourced from PubChem (CID 29067499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).