4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline

C14H12F3NO2 — CID 63593528

IUPAC4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(OC(F)F)c(F)cc2N)c1
InChIInChI=1S/C14H12F3NO2/c1-8-3-2-4-9(5-8)19-13-7-12(20-14(16)17)10(15)6-11(13)18/h2-7,14H,18H2,1H3
InChIKeyOFJFARUAEDKNGB-UHFFFAOYSA-N
MW283.25 g/mol
LogP4.11
Rot. Bonds4

About 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline

4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline (PubChem CID 63593528) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
PubChem CID63593528
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
SMILESCc1cccc(Oc2cc(OC(F)F)c(F)cc2N)c1
InChIInChI=1S/C14H12F3NO2/c1-8-3-2-4-9(5-8)19-13-7-12(20-14(16)17)10(15)6-11(13)18/h2-7,14H,18H2,1H3
InChIKeyOFJFARUAEDKNGB-UHFFFAOYSA-N
XLogP4.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 54.11
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-(3-bromo-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 83233305
2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 63879848
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
4-fluoro-5-iodo-2-(3-methylphenoxy)aniline
CID 66100148
4-(difluoromethoxy)-5-fluoro-2-(5-fluoro-2-methylphenoxy)aniline
CID 102980292
4-fluoro-2-(3-methylphenoxy)aniline
CID 62377841
4-methyl-2-(3-methylphenoxy)aniline
CID 26189584
2,4-bis(3-methylphenoxy)aniline
CID 34173748
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
CID 63599508
1-[3-fluoro-4-(3-methylphenoxy)phenyl]ethanamine
CID 43189188
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63878623

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline?
The IUPAC name of 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline (CID 63593528) is 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline.
What is the SMILES notation for 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline?
The canonical SMILES for 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline is Cc1cccc(Oc2cc(OC(F)F)c(F)cc2N)c1.
What is the InChIKey of 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline?
The InChIKey is OFJFARUAEDKNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-8-3-2-4-9(5-8)19-13-7-12(20-14(16)17)10(15)6-11(13)18/h2-7,14H,18H2,1H3.
What are the key properties of 4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline?
4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline has a molecular weight of 283.25 g/mol, XLogP of 4.11, 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-(3-methylphenoxy)aniline is sourced from PubChem (CID 63593528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).