4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline

C15H13F4NO — CID 166640991

IUPAC4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1ccc(F)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c1-20(2)14-8-5-11(16)9-13(14)10-3-6-12(7-4-10)21-15(17,18)19/h3-9H,1-2H3
InChIKeyWRBSKJFTBFJCIA-UHFFFAOYSA-N
MW299.27 g/mol
LogP4.46
Rot. Bonds3

About 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline

4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline (PubChem CID 166640991) has the molecular formula C15H13F4NO and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
PubChem CID166640991
Molecular FormulaC15H13F4NO
Molecular Weight299.27 g/mol
Exact Mass299.09
IUPAC Name4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
SMILESCN(C)c1ccc(F)cc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H13F4NO/c1-20(2)14-8-5-11(16)9-13(14)10-3-6-12(7-4-10)21-15(17,18)19/h3-9H,1-2H3
InChIKeyWRBSKJFTBFJCIA-UHFFFAOYSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-2-[4-(trifluoromethoxy)phenyl]phenol
CID 134630076
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952
5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 118813118
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
methyl 2-[4-(dimethylamino)-3-[4-(trifluoromethoxy)phenyl]anilino]-2-oxoacetate
CID 24951963
2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
CID 171121684
ethane;1-fluoro-4-methylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 144678762
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
5-fluoro-N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]aniline
CID 118801806

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline (CID 166640991) is 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline is CN(C)c1ccc(F)cc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
The InChIKey is WRBSKJFTBFJCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4NO/c1-20(2)14-8-5-11(16)9-13(14)10-3-6-12(7-4-10)21-15(17,18)19/h3-9H,1-2H3.
What are the key properties of 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline?
4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline has a molecular weight of 299.27 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 166640991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).