N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline

C14H11ClF3NO — CID 114452172

IUPACN-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
SMILESFc1cc(Cl)cc(CNc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H11ClF3NO/c15-10-5-9(6-11(16)7-10)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2
InChIKeyIYZFZKTUMXJJME-UHFFFAOYSA-N
MW301.70 g/mol
LogP4.69
Rot. Bonds5

About N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline

N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline (PubChem CID 114452172) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
PubChem CID114452172
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC NameN-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
SMILESFc1cc(Cl)cc(CNc2ccccc2OC(F)F)c1
InChIInChI=1S/C14H11ClF3NO/c15-10-5-9(6-11(16)7-10)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2
InChIKeyIYZFZKTUMXJJME-UHFFFAOYSA-N
XLogP4.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.69
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-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 81143549
4-[[2-(difluoromethoxy)anilino]methyl]-2,6-difluorophenol
CID 79881310
N-[(3,5-dichlorophenyl)methyl]-2-propan-2-yloxyaniline
CID 54802436
N-[(2-chloro-4-fluorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 43217892
N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)-3-fluoroaniline
CID 114452668
3-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-4-(difluoromethoxy)aniline
CID 114452169
N-[(3-chloro-5-fluorophenyl)methyl]-2-propan-2-ylaniline
CID 114452114
4-[[2-(difluoromethoxy)anilino]methyl]phenol
CID 28623945
2-(difluoromethoxy)-N-[[3-(difluoromethyl)phenyl]methyl]aniline
CID 115526003
N-[(2-bromo-5-chlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 66158683
2-(difluoromethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]aniline
CID 43235541

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline?
The IUPAC name of N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline (CID 114452172) is N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline.
What is the SMILES notation for N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline?
The canonical SMILES for N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline is Fc1cc(Cl)cc(CNc2ccccc2OC(F)F)c1.
What is the InChIKey of N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline?
The InChIKey is IYZFZKTUMXJJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-10-5-9(6-11(16)7-10)8-19-12-3-1-2-4-13(12)20-14(17)18/h1-7,14,19H,8H2.
What are the key properties of N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline?
N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline has a molecular weight of 301.70 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-5-fluorophenyl)methyl]-2-(difluoromethoxy)aniline is sourced from PubChem (CID 114452172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).