3,4-difluoro-2-phenylmethoxyaniline

C13H11F2NO — CID 62532181

IUPAC3,4-difluoro-2-phenylmethoxyaniline
SMILESNc1ccc(F)c(F)c1OCc1ccccc1
InChIInChI=1S/C13H11F2NO/c14-10-6-7-11(16)13(12(10)15)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2
InChIKeyMCWZISKGNQBWCH-UHFFFAOYSA-N
MW235.23 g/mol
LogP3.13
Rot. Bonds3

About 3,4-difluoro-2-phenylmethoxyaniline

3,4-difluoro-2-phenylmethoxyaniline (PubChem CID 62532181) has the molecular formula C13H11F2NO and a molecular weight of 235.23 g/mol. Its IUPAC name is 3,4-difluoro-2-phenylmethoxyaniline.

Molecular Properties

Compound Name3,4-difluoro-2-phenylmethoxyaniline
PubChem CID62532181
Molecular FormulaC13H11F2NO
Molecular Weight235.23 g/mol
Exact Mass235.08
IUPAC Name3,4-difluoro-2-phenylmethoxyaniline
SMILESNc1ccc(F)c(F)c1OCc1ccccc1
InChIInChI=1S/C13H11F2NO/c14-10-6-7-11(16)13(12(10)15)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2
InChIKeyMCWZISKGNQBWCH-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methoxy]-3,4-difluoroaniline
CID 65126930
3,4-difluoro-2-[(2-fluorophenyl)methoxy]aniline
CID 63933644
2-[2-(6-amino-2,3-difluorophenoxy)ethoxy]-3,4-difluoroaniline
CID 10358364
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
3,4-difluoro-2-[(2-methoxyphenyl)methoxy]aniline
CID 117095722
2-ethoxy-3,4-difluoroaniline
CID 22118017
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-phenylmethoxyaniline?
The IUPAC name of 3,4-difluoro-2-phenylmethoxyaniline (CID 62532181) is 3,4-difluoro-2-phenylmethoxyaniline.
What is the SMILES notation for 3,4-difluoro-2-phenylmethoxyaniline?
The canonical SMILES for 3,4-difluoro-2-phenylmethoxyaniline is Nc1ccc(F)c(F)c1OCc1ccccc1.
What is the InChIKey of 3,4-difluoro-2-phenylmethoxyaniline?
The InChIKey is MCWZISKGNQBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2NO/c14-10-6-7-11(16)13(12(10)15)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2.
What are the key properties of 3,4-difluoro-2-phenylmethoxyaniline?
3,4-difluoro-2-phenylmethoxyaniline has a molecular weight of 235.23 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-2-phenylmethoxyaniline is sourced from PubChem (CID 62532181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).