4-iodo-2,3-bis(trifluoromethyl)aniline

C8H4F6IN — CID 119023221

IUPAC4-iodo-2,3-bis(trifluoromethyl)aniline
SMILESNc1ccc(I)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4F6IN/c9-7(10,11)5-3(15)1-2-4(16)6(5)8(12,13)14/h1-2H,16H2
InChIKeyHXQNLSOXXSMKHS-UHFFFAOYSA-N
MW355.02 g/mol
LogP3.91
Rot. Bonds

About 4-iodo-2,3-bis(trifluoromethyl)aniline

4-iodo-2,3-bis(trifluoromethyl)aniline (PubChem CID 119023221) has the molecular formula C8H4F6IN and a molecular weight of 355.02 g/mol. Its IUPAC name is 4-iodo-2,3-bis(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-iodo-2,3-bis(trifluoromethyl)aniline
PubChem CID119023221
Molecular FormulaC8H4F6IN
Molecular Weight355.02 g/mol
Exact Mass354.93
IUPAC Name4-iodo-2,3-bis(trifluoromethyl)aniline
SMILESNc1ccc(I)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H4F6IN/c9-7(10,11)5-3(15)1-2-4(16)6(5)8(12,13)14/h1-2H,16H2
InChIKeyHXQNLSOXXSMKHS-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.02
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-iodo-2-(trifluoromethyl)aniline
CID 130699155
6-amino-3-iodo-2-(trifluoromethyl)benzoic acid
CID 131300034
4-fluoro-3-iodo-2-(trifluoromethyl)aniline
CID 130935825
4-bromo-3-iodo-2-(trifluoromethyl)aniline
CID 118828640
4-chloro-2-iodo-3-(trifluoromethyl)aniline
CID 118805865
3-chloro-2,4-bis(trifluoromethyl)aniline
CID 118991382
1-(difluoromethoxy)-4-iodo-2,3-bis(trifluoromethyl)benzene
CID 134638325
3-[3-amino-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)aniline
CID 18793545
[6-bromo-3-iodo-2-(trifluoromethyl)phenyl]methanamine
CID 171019356
4-amino-2-bromo-3-(trifluoromethyl)phenol
CID 130632614
4-phenoxy-2,3-bis(trifluoromethyl)aniline
CID 57146351
ethyl 4-iodo-2,3-bis(trifluoromethyl)benzoate
CID 134638565

Frequently Asked Questions

What is the IUPAC name of 4-iodo-2,3-bis(trifluoromethyl)aniline?
The IUPAC name of 4-iodo-2,3-bis(trifluoromethyl)aniline (CID 119023221) is 4-iodo-2,3-bis(trifluoromethyl)aniline.
What is the SMILES notation for 4-iodo-2,3-bis(trifluoromethyl)aniline?
The canonical SMILES for 4-iodo-2,3-bis(trifluoromethyl)aniline is Nc1ccc(I)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-iodo-2,3-bis(trifluoromethyl)aniline?
The InChIKey is HXQNLSOXXSMKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6IN/c9-7(10,11)5-3(15)1-2-4(16)6(5)8(12,13)14/h1-2H,16H2.
What are the key properties of 4-iodo-2,3-bis(trifluoromethyl)aniline?
4-iodo-2,3-bis(trifluoromethyl)aniline has a molecular weight of 355.02 g/mol, XLogP of 3.91, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2,3-bis(trifluoromethyl)aniline is sourced from PubChem (CID 119023221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).