2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline

C15H15F2NO — CID 68762078

IUPAC2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1ccc(F)c(-c2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-9(2)19-11-4-5-13(16)12(8-11)10-3-6-15(18)14(17)7-10/h3-9H,18H2,1-2H3
InChIKeyLOMGTSHSVRYFJJ-UHFFFAOYSA-N
MW263.29 g/mol
LogP4.00
Rot. Bonds3

About 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline

2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline (PubChem CID 68762078) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline.

Molecular Properties

Compound Name2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline
PubChem CID68762078
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline
SMILESCC(C)Oc1ccc(F)c(-c2ccc(N)c(F)c2)c1
InChIInChI=1S/C15H15F2NO/c1-9(2)19-11-4-5-13(16)12(8-11)10-3-6-15(18)14(17)7-10/h3-9H,18H2,1-2H3
InChIKeyLOMGTSHSVRYFJJ-UHFFFAOYSA-N
XLogP4.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline?
The IUPAC name of 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline (CID 68762078) is 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline.
What is the SMILES notation for 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline?
The canonical SMILES for 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline is CC(C)Oc1ccc(F)c(-c2ccc(N)c(F)c2)c1.
What is the InChIKey of 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline?
The InChIKey is LOMGTSHSVRYFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c1-9(2)19-11-4-5-13(16)12(8-11)10-3-6-15(18)14(17)7-10/h3-9H,18H2,1-2H3.
What are the key properties of 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline?
2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline has a molecular weight of 263.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-fluoro-5-propan-2-yloxyphenyl)aniline is sourced from PubChem (CID 68762078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).