4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline

C13H10F3NO — CID 114929926

IUPAC4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2c(F)cccc2F)c(F)c1
InChIInChI=1S/C13H10F3NO/c14-10-2-1-3-11(15)9(10)7-18-13-5-4-8(17)6-12(13)16/h1-6H,7,17H2
InChIKeyBFMNAYCGKVYFAM-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.27
Rot. Bonds3

About 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline

4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline (PubChem CID 114929926) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
PubChem CID114929926
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline
SMILESNc1ccc(OCc2c(F)cccc2F)c(F)c1
InChIInChI=1S/C13H10F3NO/c14-10-2-1-3-11(15)9(10)7-18-13-5-4-8(17)6-12(13)16/h1-6H,7,17H2
InChIKeyBFMNAYCGKVYFAM-UHFFFAOYSA-N
XLogP3.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.27
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

5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350
4-amino-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 106954932
3-fluoro-4-(naphthalen-1-ylmethoxy)aniline
CID 26190143
5-bromo-2-[(2,6-difluorophenyl)methoxy]-4-fluoroaniline
CID 103482967
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
3-fluoro-4-(methylaminomethoxy)aniline
CID 59156754
3-bromo-2-[(4-bromo-2-fluorophenoxy)methyl]aniline
CID 43349804
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
4-[(4-bromo-2-fluorophenyl)methoxy]-3-fluoroaniline
CID 43381966
2-[(2,6-difluorophenyl)methoxy]-5-methylbenzenesulfonamide
CID 114930658
3-fluoro-4-(quinolin-4-ylmethoxy)aniline
CID 79235627
3-[(2,6-difluorophenyl)methoxy]-5-iodopyridin-2-amine
CID 126639458

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline?
The IUPAC name of 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline (CID 114929926) is 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline?
The canonical SMILES for 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline is Nc1ccc(OCc2c(F)cccc2F)c(F)c1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline?
The InChIKey is BFMNAYCGKVYFAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-10-2-1-3-11(15)9(10)7-18-13-5-4-8(17)6-12(13)16/h1-6H,7,17H2.
What are the key properties of 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline?
4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline has a molecular weight of 253.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methoxy]-3-fluoroaniline is sourced from PubChem (CID 114929926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).