5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline

C14H12F3NO — CID 58022078

IUPAC5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline
SMILESCC(Oc1ccc(F)c(N)c1)c1c(F)cccc1F
InChIInChI=1S/C14H12F3NO/c1-8(14-11(16)3-2-4-12(14)17)19-9-5-6-10(15)13(18)7-9/h2-8H,18H2,1H3
InChIKeyVJKUZONXLZRJAK-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.83
Rot. Bonds3

About 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline

5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline (PubChem CID 58022078) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline.

Molecular Properties

Compound Name5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline
PubChem CID58022078
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline
SMILESCC(Oc1ccc(F)c(N)c1)c1c(F)cccc1F
InChIInChI=1S/C14H12F3NO/c1-8(14-11(16)3-2-4-12(14)17)19-9-5-6-10(15)13(18)7-9/h2-8H,18H2,1H3
InChIKeyVJKUZONXLZRJAK-UHFFFAOYSA-N
XLogP3.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.83
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

methyl 2-(3-amino-4-fluorophenoxy)propanoate
CID 66717597
methyl (2R)-2-(3-amino-4-fluorophenoxy)propanoate
CID 170783565
2-fluoro-5-(4-propan-2-yloxyphenyl)aniline
CID 82085777
5-bromo-3-[(1S)-1-(2,6-difluorophenyl)ethoxy]pyridin-2-amine
CID 164858653
3-[1-[4-fluoro-3-(trifluoromethyl)phenoxy]ethyl]aniline
CID 102746962
(3-amino-4-fluorophenyl) ethaneperoxoate
CID 90010453
4-[1-(2,6-dichlorophenyl)ethoxy]-5-fluorobenzene-1,2-diamine
CID 68510717
2,5-di(propan-2-yloxy)aniline
CID 18997718
3-[2-fluoro-5-[1-(2-fluoro-6-methoxyphenyl)ethoxy]phenyl]-2,4-dioxo-5,6-dihydro-1H-thieno[2,3-d]pyrimidine-5-carboxylic acid
CID 70943633
2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
1-(2,6-difluorophenyl)ethyl formate
CID 141266097
1,3-difluoro-2-[1-(2-methylpropoxy)ethyl]benzene
CID 91717246

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline?
The IUPAC name of 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline (CID 58022078) is 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline.
What is the SMILES notation for 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline?
The canonical SMILES for 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline is CC(Oc1ccc(F)c(N)c1)c1c(F)cccc1F.
What is the InChIKey of 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline?
The InChIKey is VJKUZONXLZRJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-8(14-11(16)3-2-4-12(14)17)19-9-5-6-10(15)13(18)7-9/h2-8H,18H2,1H3.
What are the key properties of 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline?
5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline has a molecular weight of 267.25 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-difluorophenyl)ethoxy]-2-fluoroaniline is sourced from PubChem (CID 58022078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).