2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline

C9H8F5NO — CID 115257699

IUPAC2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1cc(F)c(NCC(F)(F)F)cc1F
InChIInChI=1S/C9H8F5NO/c1-16-8-3-5(10)7(2-6(8)11)15-4-9(12,13)14/h2-3,15H,4H2,1H3
InChIKeyHJNNRQMURKACMS-UHFFFAOYSA-N
MW241.16 g/mol
LogP2.95
Rot. Bonds3

About 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline

2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257699) has the molecular formula C9H8F5NO and a molecular weight of 241.16 g/mol. Its IUPAC name is 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257699
Molecular FormulaC9H8F5NO
Molecular Weight241.16 g/mol
Exact Mass241.05
IUPAC Name2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1cc(F)c(NCC(F)(F)F)cc1F
InChIInChI=1S/C9H8F5NO/c1-16-8-3-5(10)7(2-6(8)11)15-4-9(12,13)14/h2-3,15H,4H2,1H3
InChIKeyHJNNRQMURKACMS-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-(2,5-difluoro-4-methoxyanilino)-2,2-dimethylpropanoic acid
CID 115136445
N-(chloromethyl)-2,5-difluoro-4-methoxyaniline
CID 115262759
2-(2,5-difluoro-4-methoxyanilino)ethanol
CID 82648067
1-N-(2,5-difluoro-4-methoxyphenyl)-3-methylbutane-1,3-diamine
CID 115200419
2,5-difluoro-4-methoxy-N-methylaniline
CID 82648042
1-N-(2,5-difluoro-4-methoxyphenyl)-4-methylpentane-1,4-diamine
CID 115205186
2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
CID 115257712
3-(2,5-difluoro-4-methoxyanilino)propane-1,2-diol
CID 115121931
2,5-difluoro-4-methoxy-N-[[1-(methylaminomethyl)cyclopropyl]methyl]aniline
CID 115244554
2-fluoro-5-methoxy-1-N-(2,2,3,3-tetrafluoropropyl)benzene-1,4-diamine
CID 106290037
1-N-(2,2-dimethylbutyl)-4-fluoro-5-methoxybenzene-1,2-diamine
CID 103460154
4-fluoro-5-methoxy-1-N-(2-methoxy-2-methylpropyl)benzene-1,2-diamine
CID 104758804

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline (CID 115257699) is 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline is COc1cc(F)c(NCC(F)(F)F)cc1F.
What is the InChIKey of 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is HJNNRQMURKACMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5NO/c1-16-8-3-5(10)7(2-6(8)11)15-4-9(12,13)14/h2-3,15H,4H2,1H3.
What are the key properties of 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline?
2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 241.16 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).