4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline

C8H8F2IN — CID 156720551

IUPAC4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline
SMILESC=IC(F)(F)c1ccc(N)cc1
InChIInChI=1S/C8H8F2IN/c1-11-8(9,10)6-2-4-7(12)5-3-6/h2-5H,1,12H2
InChIKeyUYNHOUATLWSORY-UHFFFAOYSA-N
MW283.06 g/mol
LogP2.72
Rot. Bonds2

About 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline

4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline (PubChem CID 156720551) has the molecular formula C8H8F2IN and a molecular weight of 283.06 g/mol. Its IUPAC name is 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline.

Molecular Properties

Compound Name4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline
PubChem CID156720551
Molecular FormulaC8H8F2IN
Molecular Weight283.06 g/mol
Exact Mass282.97
IUPAC Name4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline
SMILESC=IC(F)(F)c1ccc(N)cc1
InChIInChI=1S/C8H8F2IN/c1-11-8(9,10)6-2-4-7(12)5-3-6/h2-5H,1,12H2
InChIKeyUYNHOUATLWSORY-UHFFFAOYSA-N
XLogP2.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

molecular iodine;4-(trifluoromethyl)aniline
CID 158841642
4-(1,1,2-trifluoroethyl)aniline
CID 138013807
4-(1,1,2,2,3,3,3-heptafluoropropyl)aniline
CID 15019334
4-[3-(4-aminophenyl)-1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-yl]aniline
CID 22908509
4-(2-fluoropropan-2-yl)aniline;2,2,2-trifluoroacetic acid
CID 154727835
4-[6-(4-aminophenyl)-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluorohexan-3-yl]aniline
CID 169274864
4-[difluoro(pyridin-4-yl)methyl]aniline
CID 83855648
4-(3-amino-1,1-difluoropropyl)aniline
CID 84660577
3-(4-aminophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanenitrile
CID 137362388
4-[3-[4-[2-[4-[3-(4-aminophenyl)propyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]propyl]aniline
CID 139935965
4-[2-(4-aminophenyl)-4,4,4-trifluorobutan-2-yl]aniline
CID 154634122
2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol;ethane
CID 143399660

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline?
The IUPAC name of 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline (CID 156720551) is 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline.
What is the SMILES notation for 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline?
The canonical SMILES for 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline is C=IC(F)(F)c1ccc(N)cc1.
What is the InChIKey of 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline?
The InChIKey is UYNHOUATLWSORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2IN/c1-11-8(9,10)6-2-4-7(12)5-3-6/h2-5H,1,12H2.
What are the key properties of 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline?
4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline has a molecular weight of 283.06 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro-(methylidene-λ3-iodanyl)methyl]aniline is sourced from PubChem (CID 156720551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).