2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline

C15H13F4NO — CID 115526003

IUPAC2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
SMILESFC(F)Oc1ccccc1NCc1cccc(C(F)F)c1
InChIInChI=1S/C15H13F4NO/c16-14(17)11-5-3-4-10(8-11)9-20-12-6-1-2-7-13(12)21-15(18)19/h1-8,14-15,20H,9H2
InChIKeyVOZKKBXUZAOXIH-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.84
Rot. Bonds6

About 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline

2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline (PubChem CID 115526003) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
PubChem CID115526003
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
SMILESFC(F)Oc1ccccc1NCc1cccc(C(F)F)c1
InChIInChI=1S/C15H13F4NO/c16-14(17)11-5-3-4-10(8-11)9-20-12-6-1-2-7-13(12)21-15(18)19/h1-8,14-15,20H,9H2
InChIKeyVOZKKBXUZAOXIH-UHFFFAOYSA-N
XLogP4.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909
N-[[3-(difluoromethyl)phenyl]methyl]-2-iodoaniline
CID 113328691
2-[[3-(difluoromethyl)phenyl]methylamino]benzoic acid
CID 115526100
N-[[3-(difluoromethyl)phenyl]methyl]-2-ethylaniline
CID 115525983
N-[(3-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
1-N-[[3-(difluoromethyl)phenyl]methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115526242
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541
2-bromo-4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 63047244
N-[[3-(difluoromethyl)phenyl]methyl]-2,3-dimethylaniline
CID 115525992
N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 114452172

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline (CID 115526003) is 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline is FC(F)Oc1ccccc1NCc1cccc(C(F)F)c1.
What is the InChIKey of 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline?
The InChIKey is VOZKKBXUZAOXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c16-14(17)11-5-3-4-10(8-11)9-20-12-6-1-2-7-13(12)21-15(18)19/h1-8,14-15,20H,9H2.
What are the key properties of 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline?
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline has a molecular weight of 299.27 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline is sourced from PubChem (CID 115526003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).