2-(difluoromethoxy)-3,6-difluoroaniline

C7H5F4NO — CID 130982314

IUPAC2-(difluoromethoxy)-3,6-difluoroaniline
SMILESNc1c(F)ccc(F)c1OC(F)F
InChIInChI=1S/C7H5F4NO/c8-3-1-2-4(9)6(5(3)12)13-7(10)11/h1-2,7H,12H2
InChIKeyLLIGWFCTGOEOSB-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.15
Rot. Bonds2

About 2-(difluoromethoxy)-3,6-difluoroaniline

2-(difluoromethoxy)-3,6-difluoroaniline (PubChem CID 130982314) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3,6-difluoroaniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-3,6-difluoroaniline
PubChem CID130982314
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name2-(difluoromethoxy)-3,6-difluoroaniline
SMILESNc1c(F)ccc(F)c1OC(F)F
InChIInChI=1S/C7H5F4NO/c8-3-1-2-4(9)6(5(3)12)13-7(10)11/h1-2,7H,12H2
InChIKeyLLIGWFCTGOEOSB-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.15
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-(difluoromethoxy)-1,3-difluoro-4-(trifluoromethylsulfanyl)benzene
CID 166641295
3-(difluoromethoxy)-2,4-difluorobenzoic acid
CID 24721065
1-[3-(difluoromethoxy)-4-fluoro-2-methylphenyl]ethanone
CID 131615132
3-(difluoromethoxy)-4-fluoro-2-methylbenzoic acid
CID 131290834
1-chloro-2-(difluoromethoxy)-4-fluoro-3-methylbenzene
CID 130836038
ethyl 3-(difluoromethoxy)-2,4-difluorobenzoate
CID 134644517
2-(difluoromethoxy)-3-fluoro-5-methylaniline;hydrochloride
CID 119081480
3-bromo-2-(difluoromethoxy)-1-fluoro-4-nitrobenzene
CID 118836001
2-(difluoromethoxy)-1-fluoro-4-methyl-3-nitrobenzene
CID 135743532
1,4-dichloro-2-[2-(difluoromethoxy)-3-fluorophenyl]benzene
CID 119024391
3-(difluoromethoxy)-4-fluoro-2-formylbenzoic acid
CID 171025953
2-(difluoromethoxy)-3-fluoro-6-formylbenzonitrile
CID 131291335

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3,6-difluoroaniline?
The IUPAC name of 2-(difluoromethoxy)-3,6-difluoroaniline (CID 130982314) is 2-(difluoromethoxy)-3,6-difluoroaniline.
What is the SMILES notation for 2-(difluoromethoxy)-3,6-difluoroaniline?
The canonical SMILES for 2-(difluoromethoxy)-3,6-difluoroaniline is Nc1c(F)ccc(F)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3,6-difluoroaniline?
The InChIKey is LLIGWFCTGOEOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-3-1-2-4(9)6(5(3)12)13-7(10)11/h1-2,7H,12H2.
What are the key properties of 2-(difluoromethoxy)-3,6-difluoroaniline?
2-(difluoromethoxy)-3,6-difluoroaniline has a molecular weight of 195.12 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3,6-difluoroaniline is sourced from PubChem (CID 130982314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).