3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline

C14H13F3N2O — CID 144784650

IUPAC3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline
SMILESCNc1cccc(C(F)F)c1COc1cccc(F)n1
InChIInChI=1S/C14H13F3N2O/c1-18-11-5-2-4-9(14(16)17)10(11)8-20-13-7-3-6-12(15)19-13/h2-7,14,18H,8H2,1H3
InChIKeyVZGCUYQIEPWGHE-UHFFFAOYSA-N
MW282.27 g/mol
LogP3.78
Rot. Bonds5

About 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline

3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline (PubChem CID 144784650) has the molecular formula C14H13F3N2O and a molecular weight of 282.27 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline.

Molecular Properties

Compound Name3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline
PubChem CID144784650
Molecular FormulaC14H13F3N2O
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline
SMILESCNc1cccc(C(F)F)c1COc1cccc(F)n1
InChIInChI=1S/C14H13F3N2O/c1-18-11-5-2-4-9(14(16)17)10(11)8-20-13-7-3-6-12(15)19-13/h2-7,14,18H,8H2,1H3
InChIKeyVZGCUYQIEPWGHE-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[[2-(difluoromethyl)-6-(methylamino)phenyl]methoxy]pyridine-2-carbonitrile
CID 144783847
N-methyl-2-[(6-propan-2-yl-2-pyridinyl)oxymethyl]-3-(trifluoromethoxy)aniline
CID 144784376
3-chloro-N-methyl-2-[(6-methyl-2-pyridinyl)oxymethyl]aniline
CID 144783827
1-amino-3-[3-(difluoromethoxy)-2-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]urea
CID 144784203
6-[[2-(methylamino)-6-(trifluoromethoxy)phenyl]methoxy]pyridine-2-carbonitrile
CID 144784659
3-(difluoromethyl)-N,2-dimethylaniline;ethane
CID 169181895
2-fluoro-6-(furan-2-ylmethoxy)pyridine
CID 61228771
[2-(difluoromethyl)-6-(methylamino)phenyl]methyl (Z)-4-imino-2-methylbut-2-enimidate
CID 144784439
2-fluoro-6-(2-propan-2-yloxyethoxy)pyridine
CID 61229543
3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532
2-[(4-chloro-2-pyridinyl)oxymethyl]-N-methyl-3-methylsulfanylaniline
CID 144784163
2-[(6-ethyl-2-pyridinyl)oxymethyl]-N,3-dimethylaniline;formohydrazide
CID 144784105

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline?
The IUPAC name of 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline (CID 144784650) is 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline.
What is the SMILES notation for 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline?
The canonical SMILES for 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline is CNc1cccc(C(F)F)c1COc1cccc(F)n1.
What is the InChIKey of 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline?
The InChIKey is VZGCUYQIEPWGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-18-11-5-2-4-9(14(16)17)10(11)8-20-13-7-3-6-12(15)19-13/h2-7,14,18H,8H2,1H3.
What are the key properties of 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline?
3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline has a molecular weight of 282.27 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-[(6-fluoro-2-pyridinyl)oxymethyl]-N-methylaniline is sourced from PubChem (CID 144784650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).