molecular iodine;4-(trifluoromethyl)aniline

C7H6F3I2N — CID 158841642

IUPACmolecular iodine;4-(trifluoromethyl)aniline
SMILESII.Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3N.I2/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h1-4H,11H2;
InChIKeyIYHYGMFACXKJGC-UHFFFAOYSA-N
MW414.93 g/mol
LogP4.06
Rot. Bonds

About molecular iodine;4-(trifluoromethyl)aniline

molecular iodine;4-(trifluoromethyl)aniline (PubChem CID 158841642) has the molecular formula C7H6F3I2N and a molecular weight of 414.93 g/mol. Its IUPAC name is molecular iodine;4-(trifluoromethyl)aniline.

Molecular Properties

Compound Namemolecular iodine;4-(trifluoromethyl)aniline
PubChem CID158841642
Molecular FormulaC7H6F3I2N
Molecular Weight414.93 g/mol
Exact Mass414.85
IUPAC Namemolecular iodine;4-(trifluoromethyl)aniline
SMILESII.Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C7H6F3N.I2/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h1-4H,11H2;
InChIKeyIYHYGMFACXKJGC-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.93
LogP ≤ 54.06
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

4-nitroaniline;4-(trifluoromethyl)aniline
CID 175448311
[4-(trifluoromethyl)phenyl]alumane
CID 173025651
4-[difluoro(pyridin-4-yl)methyl]aniline
CID 83855648
4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
4-(1,1,2,2,3,3,3-heptafluoropropyl)aniline
CID 15019334
4-(1,1,2-trifluoroethyl)aniline
CID 138013807
4-[3-(4-aminophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yl]aniline
CID 22908509
4-N-[3-[4-(trifluoromethyl)phenyl]propyl]benzene-1,4-diamine
CID 170212771
1-[bromo(difluoro)methyl]-4-(trifluoromethyl)benzene
CID 640457
CID 154390518
CID 154390518
4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline
CID 156720551

Frequently Asked Questions

What is the IUPAC name of molecular iodine;4-(trifluoromethyl)aniline?
The IUPAC name of molecular iodine;4-(trifluoromethyl)aniline (CID 158841642) is molecular iodine;4-(trifluoromethyl)aniline.
What is the SMILES notation for molecular iodine;4-(trifluoromethyl)aniline?
The canonical SMILES for molecular iodine;4-(trifluoromethyl)aniline is II.Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of molecular iodine;4-(trifluoromethyl)aniline?
The InChIKey is IYHYGMFACXKJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.I2/c8-7(9,10)5-1-3-6(11)4-2-5;1-2/h1-4H,11H2;.
What are the key properties of molecular iodine;4-(trifluoromethyl)aniline?
molecular iodine;4-(trifluoromethyl)aniline has a molecular weight of 414.93 g/mol, XLogP of 4.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular iodine;4-(trifluoromethyl)aniline is sourced from PubChem (CID 158841642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).