4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline

C14H11F4NO2 — CID 102980292

IUPAC4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
SMILESCc1ccc(F)cc1Oc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H11F4NO2/c1-7-2-3-8(15)4-11(7)20-13-6-12(21-14(17)18)9(16)5-10(13)19/h2-6,14H,19H2,1H3
InChIKeyZRMXDCCICYIJNC-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.25
Rot. Bonds4

About 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline

4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline (PubChem CID 102980292) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
PubChem CID102980292
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
SMILESCc1ccc(F)cc1Oc1cc(OC(F)F)c(F)cc1N
InChIInChI=1S/C14H11F4NO2/c1-7-2-3-8(15)4-11(7)20-13-6-12(21-14(17)18)9(16)5-10(13)19/h2-6,14H,19H2,1H3
InChIKeyZRMXDCCICYIJNC-UHFFFAOYSA-N
XLogP4.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
4,5-dichloro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980220
4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
CID 63593528
6-(5-fluoro-2-methylphenoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102980224
2-(3-bromo-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 83233305
5-bromo-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980259
2-(5-fluoro-2-methylphenoxy)-5-methoxyaniline
CID 102980202
2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 63879848
2-(5-chloro-2-methylphenoxy)-5-fluoro-4-methylaniline
CID 103591054
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
4-(difluoromethoxy)-2-(3,3-dimethylbutoxy)-5-fluoroaniline
CID 66232211
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline (CID 102980292) is 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline is Cc1ccc(F)cc1Oc1cc(OC(F)F)c(F)cc1N.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline?
The InChIKey is ZRMXDCCICYIJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4NO2/c1-7-2-3-8(15)4-11(7)20-13-6-12(21-14(17)18)9(16)5-10(13)19/h2-6,14H,19H2,1H3.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline?
4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline has a molecular weight of 301.24 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline is sourced from PubChem (CID 102980292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).