2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline

C11H11F3N4O — CID 75434186

IUPAC2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCn1nncc1CNc1ccc(F)cc1OC(F)F
InChIInChI=1S/C11H11F3N4O/c1-18-8(6-16-17-18)5-15-9-3-2-7(12)4-10(9)19-11(13)14/h2-4,6,11,15H,5H2,1H3
InChIKeyMHUZNGIJBUHVMU-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.17
Rot. Bonds5

About 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline

2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline (PubChem CID 75434186) has the molecular formula C11H11F3N4O and a molecular weight of 272.23 g/mol. Its IUPAC name is 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
PubChem CID75434186
Molecular FormulaC11H11F3N4O
Molecular Weight272.23 g/mol
Exact Mass272.09
IUPAC Name2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
SMILESCn1nncc1CNc1ccc(F)cc1OC(F)F
InChIInChI=1S/C11H11F3N4O/c1-18-8(6-16-17-18)5-15-9-3-2-7(12)4-10(9)19-11(13)14/h2-4,6,11,15H,5H2,1H3
InChIKeyMHUZNGIJBUHVMU-UHFFFAOYSA-N
XLogP2.17
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115685525
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-propan-2-yloxyaniline
CID 115682395
2-(difluoromethoxy)-N-[(1-ethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 75392529
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115682021
3-[2-[(3-methyltriazol-4-yl)methylamino]phenoxy]propanamide
CID 115744008
4-ethoxy-3-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115743266
N-[2-(difluoromethoxy)-4-fluorophenyl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19557669
6-chloro-2-methyl-N-[(3-methyltriazol-4-yl)methyl]pyridin-3-amine
CID 107266310
1-(3-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682035
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3-methylpyrazol-1-yl)acetamide
CID 19517063
N-[2-(difluoromethoxy)-4-fluorophenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525992

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline?
The IUPAC name of 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline (CID 75434186) is 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline.
What is the SMILES notation for 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline?
The canonical SMILES for 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline is Cn1nncc1CNc1ccc(F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline?
The InChIKey is MHUZNGIJBUHVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O/c1-18-8(6-16-17-18)5-15-9-3-2-7(12)4-10(9)19-11(13)14/h2-4,6,11,15H,5H2,1H3.
What are the key properties of 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline?
2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline has a molecular weight of 272.23 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-4-fluoro-N-[(3-methyltriazol-4-yl)methyl]aniline is sourced from PubChem (CID 75434186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).