2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline

C15H14F3NO2 — CID 63594228

IUPAC2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2cc(F)cc(F)c2)c(N)cc1F
InChIInChI=1S/C15H14F3NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-11-4-9(16)3-10(17)5-11/h3-8H,19H2,1-2H3
InChIKeySTGPFPQKZCZFPF-UHFFFAOYSA-N
MW297.28 g/mol
LogP4.27
Rot. Bonds4

About 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline

2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline (PubChem CID 63594228) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
PubChem CID63594228
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
SMILESCC(C)Oc1cc(Oc2cc(F)cc(F)c2)c(N)cc1F
InChIInChI=1S/C15H14F3NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-11-4-9(16)3-10(17)5-11/h3-8H,19H2,1-2H3
InChIKeySTGPFPQKZCZFPF-UHFFFAOYSA-N
XLogP4.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 54.27
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-(4-bromophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593200
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895
2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63878623
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593881
4-fluoro-1-N,1-N-dimethyl-5-propan-2-yloxybenzene-1,2-diamine
CID 63592378
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
CID 63593528
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
6-(3,5-difluorophenoxy)-2-propan-2-yloxypyridin-3-amine
CID 62784272
1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 107363630

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The IUPAC name of 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline (CID 63594228) is 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The canonical SMILES for 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline is CC(C)Oc1cc(Oc2cc(F)cc(F)c2)c(N)cc1F.
What is the InChIKey of 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
The InChIKey is STGPFPQKZCZFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c1-8(2)20-14-7-15(13(19)6-12(14)18)21-11-4-9(16)3-10(17)5-11/h3-8H,19H2,1-2H3.
What are the key properties of 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline?
2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline has a molecular weight of 297.28 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline is sourced from PubChem (CID 63594228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).