2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline

C13H8F4IN — CID 107644269

IUPAC2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline
SMILESFc1cc(F)c(F)c(NCc2ccc(I)cc2)c1F
InChIInChI=1S/C13H8F4IN/c14-9-5-10(15)12(17)13(11(9)16)19-6-7-1-3-8(18)4-2-7/h1-5,19H,6H2
InChIKeyFUBLHZBCABJLHE-UHFFFAOYSA-N
MW381.11 g/mol
LogP4.46
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline

2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline (PubChem CID 107644269) has the molecular formula C13H8F4IN and a molecular weight of 381.11 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline
PubChem CID107644269
Molecular FormulaC13H8F4IN
Molecular Weight381.11 g/mol
Exact Mass380.96
IUPAC Name2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline
SMILESFc1cc(F)c(F)c(NCc2ccc(I)cc2)c1F
InChIInChI=1S/C13H8F4IN/c14-9-5-10(15)12(17)13(11(9)16)19-6-7-1-3-8(18)4-2-7/h1-5,19H,6H2
InChIKeyFUBLHZBCABJLHE-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.11
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 107643878
4-[(2,3,5,6-tetrafluoroanilino)methyl]benzonitrile
CID 107643632
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methyl]aniline
CID 107643575
2-bromo-4-[(2,3,5,6-tetrafluoroanilino)methyl]phenol
CID 107643664
2-fluoro-N-[(4-iodophenyl)methyl]aniline
CID 65477560
4-fluoro-N-[(4-iodophenyl)methyl]-3-methylaniline
CID 65479215
4-fluoro-2-iodo-N-[(4-iodophenyl)methyl]aniline
CID 79769495
5-[(2,3,5,6-tetrafluoroanilino)methyl]furan-2-carboxylic acid
CID 107644110
4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
CID 107644287
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970
2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
CID 65499551

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline (CID 107644269) is 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline is Fc1cc(F)c(F)c(NCc2ccc(I)cc2)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline?
The InChIKey is FUBLHZBCABJLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4IN/c14-9-5-10(15)12(17)13(11(9)16)19-6-7-1-3-8(18)4-2-7/h1-5,19H,6H2.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline?
2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline has a molecular weight of 381.11 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline is sourced from PubChem (CID 107644269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).