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

C14H13FINO — CID 151515953

IUPACfluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol
SMILESCc1cc(I)ccc1Nc1ccccc1C(O)F
InChIInChI=1S/C14H13FINO/c1-9-8-10(16)6-7-12(9)17-13-5-3-2-4-11(13)14(15)18/h2-8,14,17-18H,1H3
InChIKeyPTLRXMPMWGZBIQ-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.30
Rot. Bonds3

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

fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol (PubChem CID 151515953) has the molecular formula C14H13FINO and a molecular weight of 357.17 g/mol. Its IUPAC name is fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol.

Molecular Properties

Compound Namefluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol
PubChem CID151515953
Molecular FormulaC14H13FINO
Molecular Weight357.17 g/mol
Exact Mass357.00
IUPAC Namefluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol
SMILESCc1cc(I)ccc1Nc1ccccc1C(O)F
InChIInChI=1S/C14H13FINO/c1-9-8-10(16)6-7-12(9)17-13-5-3-2-4-11(13)14(15)18/h2-8,14,17-18H,1H3
InChIKeyPTLRXMPMWGZBIQ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
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 fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol?
The IUPAC name of fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol (CID 151515953) is fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol.
What is the SMILES notation for fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol?
The canonical SMILES for fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol is Cc1cc(I)ccc1Nc1ccccc1C(O)F.
What is the InChIKey of fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol?
The InChIKey is PTLRXMPMWGZBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FINO/c1-9-8-10(16)6-7-12(9)17-13-5-3-2-4-11(13)14(15)18/h2-8,14,17-18H,1H3.
What are the key properties of fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol?
fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol has a molecular weight of 357.17 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-[2-(4-iodo-2-methylanilino)phenyl]methanol is sourced from PubChem (CID 151515953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).