2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline

C9H9F3INO — CID 118830517

IUPAC2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline
SMILESCN(C)c1cc(OC(F)(F)F)ccc1I
InChIInChI=1S/C9H9F3INO/c1-14(2)8-5-6(3-4-7(8)13)15-9(10,11)12/h3-5H,1-2H3
InChIKeyDJNHNTUNPROXIW-UHFFFAOYSA-N
MW331.08 g/mol
LogP3.26
Rot. Bonds2

About 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline

2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline (PubChem CID 118830517) has the molecular formula C9H9F3INO and a molecular weight of 331.08 g/mol. Its IUPAC name is 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline
PubChem CID118830517
Molecular FormulaC9H9F3INO
Molecular Weight331.08 g/mol
Exact Mass330.97
IUPAC Name2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline
SMILESCN(C)c1cc(OC(F)(F)F)ccc1I
InChIInChI=1S/C9H9F3INO/c1-14(2)8-5-6(3-4-7(8)13)15-9(10,11)12/h3-5H,1-2H3
InChIKeyDJNHNTUNPROXIW-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.08
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
CID 171121684
1-iodo-2-methoxy-4-(trifluoromethoxy)benzene
CID 53415972
2-iodo-1-methyl-4-(trifluoromethoxy)benzene
CID 146710880
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
[2-iodo-5-(trifluoromethoxy)phenyl]hydrazine
CID 118852597
4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 166640991
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973
5-chloro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 118813118
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952
methyl 2-[2-iodo-4-(trifluoromethoxy)phenyl]acetate
CID 170998361

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline?
The IUPAC name of 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline (CID 118830517) is 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline?
The canonical SMILES for 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline is CN(C)c1cc(OC(F)(F)F)ccc1I.
What is the InChIKey of 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline?
The InChIKey is DJNHNTUNPROXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3INO/c1-14(2)8-5-6(3-4-7(8)13)15-9(10,11)12/h3-5H,1-2H3.
What are the key properties of 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline?
2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline has a molecular weight of 331.08 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline is sourced from PubChem (CID 118830517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).