2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline

C11H13F4NO — CID 55144774

IUPAC2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
SMILESCOCC(C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H13F4NO/c1-7(6-17-2)16-10-5-8(11(13,14)15)3-4-9(10)12/h3-5,7,16H,6H2,1-2H3
InChIKeyZDSDWIOGEFDRFV-UHFFFAOYSA-N
MW251.22 g/mol
LogP3.29
Rot. Bonds4

About 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline

2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline (PubChem CID 55144774) has the molecular formula C11H13F4NO and a molecular weight of 251.22 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
PubChem CID55144774
Molecular FormulaC11H13F4NO
Molecular Weight251.22 g/mol
Exact Mass251.09
IUPAC Name2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline
SMILESCOCC(C)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H13F4NO/c1-7(6-17-2)16-10-5-8(11(13,14)15)3-4-9(10)12/h3-5,7,16H,6H2,1-2H3
InChIKeyZDSDWIOGEFDRFV-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylheptan-4-yl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462426
methyl 2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 63036312
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-1-methoxypropan-2-amine
CID 172506919
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293
2-fluoro-N-[1-(1-methylcyclopropyl)ethyl]-5-(trifluoromethyl)aniline
CID 55193729
[1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methoxyethyl]hydrazine
CID 105250282
2-fluoro-N-[3-(2-methoxyethoxy)propyl]-5-(trifluoromethyl)aniline
CID 103409498
2-[2-fluoro-5-(trifluoromethyl)anilino]-N-propylpropanamide
CID 63037185
2-[2-fluoro-5-(trifluoromethyl)anilino]-N'-hydroxypropanimidamide
CID 77032131
5-chloro-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 62534108
5-fluoro-N-[(2R)-1-methoxypropan-2-yl]-2-methylaniline
CID 94473006

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline (CID 55144774) is 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline is COCC(C)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline?
The InChIKey is ZDSDWIOGEFDRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4NO/c1-7(6-17-2)16-10-5-8(11(13,14)15)3-4-9(10)12/h3-5,7,16H,6H2,1-2H3.
What are the key properties of 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline?
2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline has a molecular weight of 251.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 55144774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).