2,5-difluoro-4-methoxyaniline

C7H7F2NO — CID 45090681

IUPAC2,5-difluoro-4-methoxyaniline
SMILESCOc1cc(F)c(N)cc1F
InChIInChI=1S/C7H7F2NO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,10H2,1H3
InChIKeyXAQBYYZISMYWAO-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.56
Rot. Bonds1

About 2,5-difluoro-4-methoxyaniline

2,5-difluoro-4-methoxyaniline (PubChem CID 45090681) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 2,5-difluoro-4-methoxyaniline.

Molecular Properties

Compound Name2,5-difluoro-4-methoxyaniline
PubChem CID45090681
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name2,5-difluoro-4-methoxyaniline
SMILESCOc1cc(F)c(N)cc1F
InChIInChI=1S/C7H7F2NO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,10H2,1H3
InChIKeyXAQBYYZISMYWAO-UHFFFAOYSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.56
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-fluoro-5-methoxybenzene-1,4-diamine
CID 107258755
2-fluoro-4-methoxy-5-methylaniline
CID 89371124
2-amino-4-fluoro-5-methoxybenzenesulfonamide
CID 18007448
5-fluoro-4-methoxy-2-propylaniline
CID 130537729
1,2-difluoro-4,5-dimethoxybenzene
CID 853175
2-fluoro-4-(2-fluoroethoxy)-5-methoxyaniline
CID 171649993
5-amino-4-fluoro-2-methoxybenzamide;hydrochloride
CID 86711464
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
2-(azepan-1-yl)-5-fluoro-4-methoxyaniline
CID 55215490
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
(5-amino-2-fluoro-4-methoxyphenyl)methanol
CID 170335540
5-fluoro-4-iodo-2-methoxyaniline
CID 131593338

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methoxyaniline?
The IUPAC name of 2,5-difluoro-4-methoxyaniline (CID 45090681) is 2,5-difluoro-4-methoxyaniline.
What is the SMILES notation for 2,5-difluoro-4-methoxyaniline?
The canonical SMILES for 2,5-difluoro-4-methoxyaniline is COc1cc(F)c(N)cc1F.
What is the InChIKey of 2,5-difluoro-4-methoxyaniline?
The InChIKey is XAQBYYZISMYWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-11-7-3-4(8)6(10)2-5(7)9/h2-3H,10H2,1H3.
What are the key properties of 2,5-difluoro-4-methoxyaniline?
2,5-difluoro-4-methoxyaniline has a molecular weight of 159.13 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methoxyaniline is sourced from PubChem (CID 45090681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).