4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline

C8H6F4IN — CID 79769171

IUPAC4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
SMILESFc1ccc(NCC(F)(F)F)c(I)c1
InChIInChI=1S/C8H6F4IN/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3,14H,4H2
InChIKeyXJEYJCDERLRLOY-UHFFFAOYSA-N
MW319.04 g/mol
LogP3.40
Rot. Bonds2

About 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline

4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 79769171) has the molecular formula C8H6F4IN and a molecular weight of 319.04 g/mol. Its IUPAC name is 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
PubChem CID79769171
Molecular FormulaC8H6F4IN
Molecular Weight319.04 g/mol
Exact Mass318.95
IUPAC Name4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline
SMILESFc1ccc(NCC(F)(F)F)c(I)c1
InChIInChI=1S/C8H6F4IN/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3,14H,4H2
InChIKeyXJEYJCDERLRLOY-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.04
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoro-2-iodoanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 79768847
3-(4-fluoro-2-iodoanilino)-2,2-dimethylpropanoic acid
CID 79768427
N-(4-fluoro-2-iodophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79766531
2-(4-fluoro-2-iodoanilino)acetic acid
CID 79769086
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495
4,4,4-trifluoro-N-(4-fluoro-2-iodophenyl)butanamide
CID 79766480
4-fluoro-2-iodo-N-(2-methoxyethyl)aniline
CID 79769085
N-[(2,6-difluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79768652
4-fluoro-2-iodo-N-(2-methylbutyl)aniline
CID 79769161
4-fluoro-N-[(4-fluoro-2-methylphenyl)methyl]-2-iodoaniline
CID 79768402
N-[(2-chloro-4-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 79769585
4-[(4-fluoro-2-iodoanilino)methyl]benzoic acid
CID 79769454

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline (CID 79769171) is 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline is Fc1ccc(NCC(F)(F)F)c(I)c1.
What is the InChIKey of 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is XJEYJCDERLRLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4IN/c9-5-1-2-7(6(13)3-5)14-4-8(10,11)12/h1-3,14H,4H2.
What are the key properties of 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline?
4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 319.04 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodo-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 79769171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).