2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline

C15H12F5NO2 — CID 86947132

IUPAC2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C15H12F5NO2/c16-11-4-2-1-3-9(11)8-21-12-6-5-10(22-14(17)18)7-13(12)23-15(19)20/h1-7,14-15,21H,8H2
InChIKeyRJNYRGLNPGSZNB-UHFFFAOYSA-N
MW333.26 g/mol
LogP4.64
Rot. Bonds7

About 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline

2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline (PubChem CID 86947132) has the molecular formula C15H12F5NO2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline.

Molecular Properties

Compound Name2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline
PubChem CID86947132
Molecular FormulaC15H12F5NO2
Molecular Weight333.26 g/mol
Exact Mass333.08
IUPAC Name2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline
SMILESFc1ccccc1CNc1ccc(OC(F)F)cc1OC(F)F
InChIInChI=1S/C15H12F5NO2/c16-11-4-2-1-3-9(11)8-21-12-6-5-10(22-14(17)18)7-13(12)23-15(19)20/h1-7,14-15,21H,8H2
InChIKeyRJNYRGLNPGSZNB-UHFFFAOYSA-N
XLogP4.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N-[(2-fluorophenyl)methyl]benzamide
CID 40650902
4-bromo-N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoroaniline
CID 107609590
N-[[2-(difluoromethoxy)phenyl]methyl]-2,5-difluoro-4-methylaniline
CID 103585009
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfanylaniline
CID 43683398
1-[[3-(difluoromethoxy)phenyl]methyl]-3-[(2-fluorophenyl)methyl]urea
CID 49467023
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2-fluorophenyl)acetamide
CID 51181469
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
CID 54865374
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892
1-[[2-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111500660
1-[3-(difluoromethoxy)phenyl]-3-[(2-fluorophenyl)methyl]urea
CID 47039486

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline?
The IUPAC name of 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline (CID 86947132) is 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline.
What is the SMILES notation for 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline?
The canonical SMILES for 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline is Fc1ccccc1CNc1ccc(OC(F)F)cc1OC(F)F.
What is the InChIKey of 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline?
The InChIKey is RJNYRGLNPGSZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5NO2/c16-11-4-2-1-3-9(11)8-21-12-6-5-10(22-14(17)18)7-13(12)23-15(19)20/h1-7,14-15,21H,8H2.
What are the key properties of 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline?
2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline has a molecular weight of 333.26 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline is sourced from PubChem (CID 86947132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).