4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

C14H11F5N2 — CID 82799662

IUPAC4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)c(C(F)(F)F)c2)c1F
InChIInChI=1S/C14H11F5N2/c1-7-2-4-10(15)13(12(7)16)21-8-3-5-11(20)9(6-8)14(17,18)19/h2-6,21H,20H2,1H3
InChIKeyYXHWAEMLANVQND-UHFFFAOYSA-N
MW302.25 g/mol
LogP4.62
Rot. Bonds2

About 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine

4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 82799662) has the molecular formula C14H11F5N2 and a molecular weight of 302.25 g/mol. Its IUPAC name is 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
PubChem CID82799662
Molecular FormulaC14H11F5N2
Molecular Weight302.25 g/mol
Exact Mass302.08
IUPAC Name4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
SMILESCc1ccc(F)c(Nc2ccc(N)c(C(F)(F)F)c2)c1F
InChIInChI=1S/C14H11F5N2/c1-7-2-4-10(15)13(12(7)16)21-8-3-5-11(20)9(6-8)14(17,18)19/h2-6,21H,20H2,1H3
InChIKeyYXHWAEMLANVQND-UHFFFAOYSA-N
XLogP4.62
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 54.62
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

4-N-(4-bromo-2,6-dimethylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 65468688
4-N-(3-bromo-4-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 63406446
3,4-bis[4-amino-3-(trifluoromethyl)anilino]cyclobut-3-ene-1,2-dione
CID 169099220
4-N-(2,6-difluoro-3-methylphenyl)benzene-1,4-diamine
CID 82816183
4-N-(3-chloro-4-fluorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29067548
4-N-(2,6-difluoro-3-methylphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005350
4-N-(5-bromo-4-fluoro-2-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 107590965
2-(trifluoromethyl)-4-N-(2,4,5-trifluorophenyl)benzene-1,4-diamine
CID 62816929
4-N-(3-fluoro-4-methoxyphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 43380714
2-N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-methylpyridine-2,3-diamine
CID 81132199
4-N-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 29066986
4-(2,6-difluoro-3-methylanilino)-2-methylbenzenecarbothioamide
CID 82818839

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine (CID 82799662) is 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is Cc1ccc(F)c(Nc2ccc(N)c(C(F)(F)F)c2)c1F.
What is the InChIKey of 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is YXHWAEMLANVQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F5N2/c1-7-2-4-10(15)13(12(7)16)21-8-3-5-11(20)9(6-8)14(17,18)19/h2-6,21H,20H2,1H3.
What are the key properties of 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine?
4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 302.25 g/mol, XLogP of 4.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluoro-3-methylphenyl)-2-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 82799662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).