[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol

C14H13FINO — CID 12044105

IUPAC[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1CO
InChIInChI=1S/C14H13FINO/c1-9-6-12(16)4-5-13(9)17-14-7-11(15)3-2-10(14)8-18/h2-7,17-18H,8H2,1H3
InChIKeyJRNGBJQTHMPCAU-UHFFFAOYSA-N
MW357.17 g/mol
LogP3.97
Rot. Bonds3

About [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol

[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol (PubChem CID 12044105) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol.

Molecular Properties

Compound Name[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol
PubChem CID12044105
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Name[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1CO
InChIInChI=1S/C14H13FINO/c1-9-6-12(16)4-5-13(9)17-14-7-11(15)3-2-10(14)8-18/h2-7,17-18H,8H2,1H3
InChIKeyJRNGBJQTHMPCAU-UHFFFAOYSA-N
XLogP3.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol?
The IUPAC name of [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol (CID 12044105) is [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol.
What is the SMILES notation for [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol?
The canonical SMILES for [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol is Cc1cc(I)ccc1Nc1cc(F)ccc1CO.
What is the InChIKey of [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol?
The InChIKey is JRNGBJQTHMPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c1-9-6-12(16)4-5-13(9)17-14-7-11(15)3-2-10(14)8-18/h2-7,17-18H,8H2,1H3.
What are the key properties of [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol?
[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol has a molecular weight of 357.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(4-iodo-2-methylanilino)phenyl]methanol is sourced from PubChem (CID 12044105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).