2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline

C13H10ClF2NO — CID 81267909

IUPAC2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
SMILESNc1cc(COc2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-9-5-4-8(6-12(9)17)7-18-13-10(15)2-1-3-11(13)16/h1-6H,7,17H2
InChIKeyQWODKCNDUWRYLC-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.78
Rot. Bonds3

About 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline

2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline (PubChem CID 81267909) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline.

Molecular Properties

Compound Name2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
PubChem CID81267909
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
SMILESNc1cc(COc2c(F)cccc2F)ccc1Cl
InChIInChI=1S/C13H10ClF2NO/c14-9-5-4-8(6-12(9)17)7-18-13-10(15)2-1-3-11(13)16/h1-6H,7,17H2
InChIKeyQWODKCNDUWRYLC-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.78
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-bromo-5-[(2-chloro-6-fluorophenoxy)methyl]aniline
CID 83051603
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
2-[(3-chlorophenyl)methoxy]-3-fluoroaniline
CID 104831215
2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
CID 62783723
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
4-[(3-amino-4-chlorophenyl)methoxy]phenol
CID 117221951
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955
2-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline?
The IUPAC name of 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline (CID 81267909) is 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline.
What is the SMILES notation for 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline?
The canonical SMILES for 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline is Nc1cc(COc2c(F)cccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline?
The InChIKey is QWODKCNDUWRYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-9-5-4-8(6-12(9)17)7-18-13-10(15)2-1-3-11(13)16/h1-6H,7,17H2.
What are the key properties of 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline?
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline has a molecular weight of 269.68 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline is sourced from PubChem (CID 81267909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).