4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline

C15H12F4IN — CID 63455967

IUPAC4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C15H12F4IN/c1-9(10-2-4-11(20)5-3-10)21-12-6-7-14(16)13(8-12)15(17,18)19/h2-9,21H,1H3
InChIKeyJLSAASWYNJTQBZ-UHFFFAOYSA-N
MW409.16 g/mol
LogP5.62
Rot. Bonds3

About 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline

4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 63455967) has the molecular formula C15H12F4IN and a molecular weight of 409.16 g/mol. Its IUPAC name is 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID63455967
Molecular FormulaC15H12F4IN
Molecular Weight409.16 g/mol
Exact Mass409.00
IUPAC Name4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline
SMILESCC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(I)cc1
InChIInChI=1S/C15H12F4IN/c1-9(10-2-4-11(20)5-3-10)21-12-6-7-14(16)13(8-12)15(17,18)19/h2-9,21H,1H3
InChIKeyJLSAASWYNJTQBZ-UHFFFAOYSA-N
XLogP5.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.16
LogP ≤ 55.62
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

4-fluoro-N-(1-phenylethyl)-3-(trifluoromethyl)aniline
CID 63455608
3,4-difluoro-N-[1-(4-iodophenyl)ethyl]aniline
CID 43761590
4-fluoro-N-(1-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 61227454
N-[1-(4-fluorophenyl)ethyl]-4-iodoaniline
CID 43088233
N-[1-(4-iodophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 43758444
4-bromo-N-[1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)aniline
CID 43680401
N-[1-(4-iodophenyl)ethyl]-6-(trifluoromethyl)pyridin-3-amine
CID 82812139
N-[1-(2-bromophenyl)ethyl]-4-fluoro-3-(trifluoromethyl)aniline
CID 63455430
N-[1-(4-tert-butylphenyl)ethyl]-4-fluoro-3-methylaniline
CID 63476341
4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43245794
2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
CID 82816580
3,4-dimethyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43107070

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline (CID 63455967) is 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline is CC(Nc1ccc(F)c(C(F)(F)F)c1)c1ccc(I)cc1.
What is the InChIKey of 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is JLSAASWYNJTQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4IN/c1-9(10-2-4-11(20)5-3-10)21-12-6-7-14(16)13(8-12)15(17,18)19/h2-9,21H,1H3.
What are the key properties of 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline?
4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 409.16 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-(4-iodophenyl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 63455967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).