2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline

C15H11F6NO — CID 11002165

IUPAC2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
SMILESFc1ccc(F)c(NCc2cccc(OC(F)(F)C(F)F)c2)c1
InChIInChI=1S/C15H11F6NO/c16-10-4-5-12(17)13(7-10)22-8-9-2-1-3-11(6-9)23-15(20,21)14(18)19/h1-7,14,22H,8H2
InChIKeyUWBSNRJZFPPFAB-UHFFFAOYSA-N
MW335.25 g/mol
LogP4.81
Rot. Bonds6

About 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline

2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline (PubChem CID 11002165) has the molecular formula C15H11F6NO and a molecular weight of 335.25 g/mol. Its IUPAC name is 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
PubChem CID11002165
Molecular FormulaC15H11F6NO
Molecular Weight335.25 g/mol
Exact Mass335.07
IUPAC Name2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
SMILESFc1ccc(F)c(NCc2cccc(OC(F)(F)C(F)F)c2)c1
InChIInChI=1S/C15H11F6NO/c16-10-4-5-12(17)13(7-10)22-8-9-2-1-3-11(6-9)23-15(20,21)14(18)19/h1-7,14,22H,8H2
InChIKeyUWBSNRJZFPPFAB-UHFFFAOYSA-N
XLogP4.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-fluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107633358
3-(3-methylphenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 141062726
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
CID 11955347
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
2-fluoro-N-[(3-methoxyphenyl)methyl]-5-methylaniline
CID 28879448
N-[[3-(1,1,2,2,2-pentafluoroethyl)phenyl]methyl]-3-[3-(1,1,2,2-tetrafluoroethoxy)phenoxy]aniline
CID 141062764
2,5-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29274559
N-[[4-(aminomethyl)phenyl]methyl]-2,5-difluoroaniline
CID 115213122
2-fluoro-N-[(3-fluorophenyl)methyl]-5-methylaniline
CID 28879450
2,3-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]aniline
CID 107104398
4-fluoro-2-iodo-N-[(3-methoxyphenyl)methyl]aniline
CID 79768483

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline?
The IUPAC name of 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline (CID 11002165) is 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline?
The canonical SMILES for 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline is Fc1ccc(F)c(NCc2cccc(OC(F)(F)C(F)F)c2)c1.
What is the InChIKey of 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline?
The InChIKey is UWBSNRJZFPPFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6NO/c16-10-4-5-12(17)13(7-10)22-8-9-2-1-3-11(6-9)23-15(20,21)14(18)19/h1-7,14,22H,8H2.
What are the key properties of 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline?
2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline has a molecular weight of 335.25 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 11002165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).